log started: Fri Feb 27 11:55:16 2015 Log file: ./leap.log >> # >> # ----- leaprc for loading the general Amber Force field. >> # This file is mostly for use with Antechamber >> # >> # load atom type hybridizations >> # >> addAtomTypes { >> { "h1" "H" "sp3" } >> { "h2" "H" "sp3" } >> { "h3" "H" "sp3" } >> { "h4" "H" "sp3" } >> { "h5" "H" "sp3" } >> { "ha" "H" "sp3" } >> { "hc" "H" "sp3" } >> { "hn" "H" "sp3" } >> { "ho" "H" "sp3" } >> { "hp" "H" "sp3" } >> { "hs" "H" "sp3" } >> { "hw" "H" "sp3" } >> { "hx" "H" "sp3" } >> { "o" "O" "sp2" } >> { "o2" "O" "sp2" } >> { "oh" "O" "sp3" } >> { "os" "O" "sp3" } >> { "ow" "O" "sp3" } >> { "c" "C" "sp2" } >> { "c1" "C" "sp2" } >> { "c2" "C" "sp2" } >> { "c3" "C" "sp3" } >> { "ca" "C" "sp2" } >> { "cc" "C" "sp2" } >> { "cd" "C" "sp2" } >> { "ce" "C" "sp2" } >> { "cf" "C" "sp2" } >> { "cg" "C" "sp2" } >> { "ch" "C" "sp2" } >> { "cp" "C" "sp2" } >> { "cq" "C" "sp2" } >> { "cu" "C" "sp2" } >> { "cv" "C" "sp2" } >> { "cx" "C" "sp2" } >> { "cy" "C" "sp2" } >> { "cz" "C" "sp2" } >> { "n" "N" "sp2" } >> { "n1" "N" "sp2" } >> { "n2" "N" "sp2" } >> { "n3" "N" "sp3" } >> { "n4" "N" "sp3" } >> { "na" "N" "sp2" } >> { "nb" "N" "sp2" } >> { "nc" "N" "sp2" } >> { "nd" "N" "sp2" } >> { "ne" "N" "sp2" } >> { "nf" "N" "sp2" } >> { "nh" "N" "sp2" } >> { "no" "N" "sp2" } >> { "s" "S" "sp2" } >> { "s2" "S" "sp2" } >> { "s3" "S" "sp3" } >> { "s4" "S" "sp3" } >> { "s6" "S" "sp3" } >> { "sh" "S" "sp3" } >> { "ss" "S" "sp3" } >> { "sx" "S" "sp3" } >> { "sy" "S" "sp3" } >> { "p2" "P" "sp2" } >> { "p3" "P" "sp3" } >> { "p4" "P" "sp3" } >> { "p5" "P" "sp3" } >> { "pb" "P" "sp3" } >> { "pc" "P" "sp3" } >> { "pd" "P" "sp3" } >> { "pe" "P" "sp3" } >> { "pf" "P" "sp3" } >> { "px" "P" "sp3" } >> { "py" "P" "sp3" } >> { "f" "F" "sp3" } >> { "cl" "Cl" "sp3" } >> { "br" "Br" "sp3" } >> { "i" "I" "sp3" } >> } >> # >> # Load the general force field parameter set. >> # >> gaff = loadamberparams gaff.dat Loading parameters: /home/farm/Programs/Amber12/amber12/dat/leap/parm/gaff.dat Reading title: AMBER General Force Field for organic molecules (Version 1.5, January 2013) > > > BMI = loadmol2 bmi.mol2 Loading Mol2 file: ./bmi.mol2 Reading MOLECULE named BMI > > BF4 = loadmol2 bf4.mol2 Loading Mol2 file: ./bf4.mol2 Reading MOLECULE named BF4 > > ACN = loadmol2 acn.mol2 Loading Mol2 file: ./acn.mol2 Reading MOLECULE named ACN > > ionicbox = loadPdb ionicbox.pdb Loading PDB file: ./ionicbox.pdb Enter zPdbReadScan from call depth 0. (starting new molecule for chain B) (starting new molecule for chain C) Exit zPdbReadScan from call depth 0. Matching PDB residue names to LEaP variables. (Residue 0: BF4, Terminal/beginning, was not found in name map.) (Residue 1: BF4, Nonterminal, was not found in name map.) (Residue 2: BF4, Nonterminal, was not found in name map.) (Residue 3: BF4, Nonterminal, was not found in name map.) (Residue 4: BF4, Nonterminal, was not found in name map.) (Residue 5: BF4, Nonterminal, was not found in name map.) (Residue 6: BF4, Nonterminal, was not found in name map.) (Residue 7: BF4, Nonterminal, was not found in name map.) (Residue 8: BF4, Nonterminal, was not found in name map.) (Residue 9: BF4, Nonterminal, was not found in name map.) (Residue 10: BF4, Nonterminal, was not found in name map.) (Residue 11: BF4, Nonterminal, was not found in name map.) (Residue 12: BF4, Nonterminal, was not found in name map.) (Residue 13: BF4, Nonterminal, was not found in name map.) (Residue 14: BF4, Nonterminal, was not found in name map.) (Residue 15: BF4, Nonterminal, was not found in name map.) (Residue 16: BF4, Nonterminal, was not found in name map.) (Residue 17: BF4, Nonterminal, was not found in name map.) (Residue 18: BF4, Nonterminal, was not found in name map.) (Residue 19: BF4, Nonterminal, was not found in name map.) (Residue 20: BF4, Nonterminal, was not found in name map.) (Residue 21: BF4, Nonterminal, was not found in name map.) (Residue 22: BF4, Nonterminal, was not found in name map.) (Residue 23: BF4, Nonterminal, was not found in name map.) (Residue 24: BF4, Nonterminal, was not found in name map.) (Residue 25: BF4, Nonterminal, was not found in name map.) (Residue 26: BF4, Nonterminal, was not found in name map.) (Residue 27: BF4, Nonterminal, was not found in name map.) (Residue 28: BF4, Nonterminal, was not found in name map.) (Residue 29: BF4, Nonterminal, was not found in name map.) (Residue 30: BF4, Nonterminal, was not found in name map.) (Residue 31: BF4, Nonterminal, was not found in name map.) (Residue 32: BF4, Nonterminal, was not found in name map.) (Residue 33: BF4, Nonterminal, was not found in name map.) (Residue 34: BF4, Nonterminal, was not found in name map.) (Residue 35: BF4, Nonterminal, was not found in name map.) (Residue 36: BF4, Nonterminal, was not found in name map.) (Residue 37: BF4, Nonterminal, was not found in name map.) (Residue 38: BF4, Nonterminal, was not found in name map.) (Residue 39: BF4, Nonterminal, was not found in name map.) (Residue 40: BF4, Nonterminal, was not found in name map.) (Residue 41: BF4, Nonterminal, was not found in name map.) (Residue 42: BF4, Nonterminal, was not found in name map.) (Residue 43: BF4, Nonterminal, was not found in name map.) (Residue 44: BF4, Nonterminal, was not found in name map.) (Residue 45: BF4, Nonterminal, was not found in name map.) (Residue 46: BF4, Nonterminal, was not found in name map.) (Residue 47: BF4, Nonterminal, was not found in name map.) (Residue 48: BF4, Nonterminal, was not found in name map.) (Residue 49: BF4, Nonterminal, was not found in name map.) (Residue 50: BF4, Nonterminal, was not found in name map.) (Residue 51: BF4, Nonterminal, was not found in name map.) (Residue 52: BF4, Nonterminal, was not found in name map.) (Residue 53: BF4, Nonterminal, was not found in name map.) (Residue 54: BF4, Nonterminal, was not found in name map.) (Residue 55: BF4, Nonterminal, was not found in name map.) (Residue 56: BF4, Nonterminal, was not found in name map.) (Residue 57: BF4, Nonterminal, was not found in name map.) (Residue 58: BF4, Nonterminal, was not found in name map.) (Residue 59: BF4, Nonterminal, was not found in name map.) (Residue 60: BF4, Nonterminal, was not found in name map.) (Residue 61: BF4, Nonterminal, was not found in name map.) (Residue 62: BF4, Nonterminal, was not found in name map.) (Residue 63: BF4, Nonterminal, was not found in name map.) (Residue 64: BF4, Nonterminal, was not found in name map.) (Residue 65: BF4, Nonterminal, was not found in name map.) (Residue 66: BF4, Nonterminal, was not found in name map.) (Residue 67: BF4, Nonterminal, was not found in name map.) (Residue 68: BF4, Nonterminal, was not found in name map.) (Residue 69: BF4, Nonterminal, was not found in name map.) (Residue 70: BF4, Nonterminal, was not found in name map.) (Residue 71: BF4, Nonterminal, was not found in name map.) (Residue 72: BF4, Nonterminal, was not found in name map.) (Residue 73: BF4, Nonterminal, was not found in name map.) (Residue 74: BF4, Nonterminal, was not found in name map.) (Residue 75: BF4, Nonterminal, was not found in name map.) (Residue 76: BF4, Nonterminal, was not found in name map.) (Residue 77: BF4, Nonterminal, was not found in name map.) (Residue 78: BF4, Nonterminal, was not found in name map.) (Residue 79: BF4, Nonterminal, was not found in name map.) (Residue 80: BF4, Nonterminal, was not found in name map.) (Residue 81: BF4, Nonterminal, was not found in name map.) (Residue 82: BF4, Nonterminal, was not found in name map.) (Residue 83: BF4, Nonterminal, was not found in name map.) (Residue 84: BF4, Nonterminal, was not found in name map.) (Residue 85: BF4, Nonterminal, was not found in name map.) (Residue 86: BF4, Nonterminal, was not found in name map.) (Residue 87: BF4, Nonterminal, was not found in name map.) (Residue 88: BF4, Nonterminal, was not found in name map.) (Residue 89: BF4, Nonterminal, was not found in name map.) (Residue 90: BF4, Nonterminal, was not found in name map.) (Residue 91: BF4, Nonterminal, was not found in name map.) (Residue 92: BF4, Nonterminal, was not found in name map.) (Residue 93: BF4, Nonterminal, was not found in name map.) (Residue 94: BF4, Nonterminal, was not found in name map.) (Residue 95: BF4, Nonterminal, was not found in name map.) (Residue 96: BF4, Nonterminal, was not found in name map.) (Residue 97: BF4, Nonterminal, was not found in name map.) (Residue 98: BF4, Nonterminal, was not found in name map.) (Residue 99: BF4, Nonterminal, was not found in name map.) (Residue 100: BF4, Nonterminal, was not found in name map.) (Residue 101: BF4, Terminal/last, was not found in name map.) (Residue 102: BMI, Terminal/beginning, was not found in name map.) (Residue 103: BMI, Nonterminal, was not found in name map.) (Residue 104: BMI, Nonterminal, was not found in name map.) (Residue 105: BMI, Nonterminal, was not found in name map.) (Residue 106: BMI, Nonterminal, was not found in name map.) (Residue 107: BMI, Nonterminal, was not found in name map.) (Residue 108: BMI, Nonterminal, was not found in name map.) (Residue 109: BMI, Nonterminal, was not found in name map.) (Residue 110: BMI, Nonterminal, was not found in name map.) (Residue 111: BMI, Nonterminal, was not found in name map.) (Residue 112: BMI, Nonterminal, was not found in name map.) (Residue 113: BMI, Nonterminal, was not found in name map.) (Residue 114: BMI, Nonterminal, was not found in name map.) (Residue 115: BMI, Nonterminal, was not found in name map.) (Residue 116: BMI, Nonterminal, was not found in name map.) (Residue 117: BMI, Nonterminal, was not found in name map.) (Residue 118: BMI, Nonterminal, was not found in name map.) (Residue 119: BMI, Nonterminal, was not found in name map.) (Residue 120: BMI, Nonterminal, was not found in name map.) (Residue 121: BMI, Nonterminal, was not found in name map.) (Residue 122: BMI, Nonterminal, was not found in name map.) (Residue 123: BMI, Nonterminal, was not found in name map.) (Residue 124: BMI, Nonterminal, was not found in name map.) (Residue 125: BMI, Nonterminal, was not found in name map.) (Residue 126: BMI, Nonterminal, was not found in name map.) (Residue 127: BMI, Nonterminal, was not found in name map.) (Residue 128: BMI, Nonterminal, was not found in name map.) (Residue 129: BMI, Nonterminal, was not found in name map.) (Residue 130: BMI, Nonterminal, was not found in name map.) (Residue 131: BMI, Nonterminal, was not found in name map.) (Residue 132: BMI, Nonterminal, was not found in name map.) (Residue 133: BMI, Nonterminal, was not found in name map.) (Residue 134: BMI, Nonterminal, was not found in name map.) (Residue 135: BMI, Nonterminal, was not found in name map.) (Residue 136: BMI, Nonterminal, was not found in name map.) (Residue 137: BMI, Nonterminal, was not found in name map.) (Residue 138: BMI, Nonterminal, was not found in name map.) (Residue 139: BMI, Nonterminal, was not found in name map.) (Residue 140: BMI, Nonterminal, was not found in name map.) (Residue 141: BMI, Nonterminal, was not found in name map.) (Residue 142: BMI, Nonterminal, was not found in name map.) (Residue 143: BMI, Nonterminal, was not found in name map.) (Residue 144: BMI, Nonterminal, was not found in name map.) (Residue 145: BMI, Nonterminal, was not found in name map.) (Residue 146: BMI, Nonterminal, was not found in name map.) (Residue 147: BMI, Nonterminal, was not found in name map.) (Residue 148: BMI, Nonterminal, was not found in name map.) (Residue 149: BMI, Nonterminal, was not found in name map.) (Residue 150: BMI, Nonterminal, was not found in name map.) (Residue 151: BMI, Nonterminal, was not found in name map.) (Residue 152: BMI, Nonterminal, was not found in name map.) (Residue 153: BMI, Nonterminal, was not found in name map.) (Residue 154: BMI, Nonterminal, was not found in name map.) (Residue 155: BMI, Nonterminal, was not found in name map.) (Residue 156: BMI, Nonterminal, was not found in name map.) (Residue 157: BMI, Nonterminal, was not found in name map.) (Residue 158: BMI, Nonterminal, was not found in name map.) (Residue 159: BMI, Nonterminal, was not found in name map.) (Residue 160: BMI, Nonterminal, was not found in name map.) (Residue 161: BMI, Nonterminal, was not found in name map.) (Residue 162: BMI, Nonterminal, was not found in name map.) (Residue 163: BMI, Nonterminal, was not found in name map.) (Residue 164: BMI, Nonterminal, was not found in name map.) (Residue 165: BMI, Nonterminal, was not found in name map.) (Residue 166: BMI, Nonterminal, was not found in name map.) (Residue 167: BMI, Nonterminal, was not found in name map.) (Residue 168: BMI, Nonterminal, was not found in name map.) (Residue 169: BMI, Nonterminal, was not found in name map.) (Residue 170: BMI, Nonterminal, was not found in name map.) (Residue 171: BMI, Nonterminal, was not found in name map.) (Residue 172: BMI, Nonterminal, was not found in name map.) (Residue 173: BMI, Nonterminal, was not found in name map.) (Residue 174: BMI, Nonterminal, was not found in name map.) (Residue 175: BMI, Nonterminal, was not found in name map.) (Residue 176: BMI, Nonterminal, was not found in name map.) (Residue 177: BMI, Nonterminal, was not found in name map.) (Residue 178: BMI, Nonterminal, was not found in name map.) (Residue 179: BMI, Nonterminal, was not found in name map.) (Residue 180: BMI, Nonterminal, was not found in name map.) (Residue 181: BMI, Nonterminal, was not found in name map.) (Residue 182: BMI, Nonterminal, was not found in name map.) (Residue 183: BMI, Nonterminal, was not found in name map.) (Residue 184: BMI, Nonterminal, was not found in name map.) (Residue 185: BMI, Nonterminal, was not found in name map.) (Residue 186: BMI, Nonterminal, was not found in name map.) (Residue 187: BMI, Nonterminal, was not found in name map.) (Residue 188: BMI, Nonterminal, was not found in name map.) (Residue 189: BMI, Nonterminal, was not found in name map.) (Residue 190: BMI, Nonterminal, was not found in name map.) (Residue 191: BMI, Nonterminal, was not found in name map.) (Residue 192: BMI, Nonterminal, was not found in name map.) (Residue 193: BMI, Nonterminal, was not found in name map.) (Residue 194: BMI, Nonterminal, was not found in name map.) (Residue 195: BMI, Nonterminal, was not found in name map.) (Residue 196: BMI, Nonterminal, was not found in name map.) (Residue 197: BMI, Nonterminal, was not found in name map.) (Residue 198: BMI, Nonterminal, was not found in name map.) (Residue 199: BMI, Nonterminal, was not found in name map.) (Residue 200: BMI, Nonterminal, was not found in name map.) (Residue 201: BMI, Nonterminal, was not found in name map.) (Residue 202: BMI, Nonterminal, was not found in name map.) (Residue 203: BMI, Terminal/last, was not found in name map.) (Residue 204: ACN, Terminal/beginning, was not found in name map.) (Residue 205: ACN, Nonterminal, was not found in name map.) (Residue 206: ACN, Nonterminal, was not found in name map.) (Residue 207: ACN, Nonterminal, was not found in name map.) (Residue 208: ACN, Nonterminal, was not found in name map.) (Residue 209: ACN, Nonterminal, was not found in name map.) (Residue 210: ACN, Nonterminal, was not found in name map.) (Residue 211: ACN, Nonterminal, was not found in name map.) (Residue 212: ACN, Nonterminal, was not found in name map.) (Residue 213: ACN, Nonterminal, was not found in name map.) (Residue 214: ACN, Nonterminal, was not found in name map.) (Residue 215: ACN, Nonterminal, was not found in name map.) (Residue 216: ACN, Nonterminal, was not found in name map.) (Residue 217: ACN, Nonterminal, was not found in name map.) (Residue 218: ACN, Nonterminal, was not found in name map.) (Residue 219: ACN, Nonterminal, was not found in name map.) (Residue 220: ACN, Nonterminal, was not found in name map.) (Residue 221: ACN, Nonterminal, was not found in name map.) (Residue 222: ACN, Nonterminal, was not found in name map.) (Residue 223: ACN, Nonterminal, was not found in name map.) (Residue 224: ACN, Nonterminal, was not found in name map.) (Residue 225: ACN, Nonterminal, was not found in name map.) (Residue 226: ACN, Nonterminal, was not found in name map.) (Residue 227: ACN, Nonterminal, was not found in name map.) (Residue 228: ACN, Nonterminal, was not found in name map.) (Residue 229: ACN, Nonterminal, was not found in name map.) (Residue 230: ACN, Nonterminal, was not found in name map.) (Residue 231: ACN, Nonterminal, was not found in name map.) (Residue 232: ACN, Nonterminal, was not found in name map.) (Residue 233: ACN, Nonterminal, was not found in name map.) (Residue 234: ACN, Nonterminal, was not found in name map.) (Residue 235: ACN, Nonterminal, was not found in name map.) (Residue 236: ACN, Nonterminal, was not found in name map.) (Residue 237: ACN, Nonterminal, was not found in name map.) (Residue 238: ACN, Nonterminal, was not found in name map.) (Residue 239: ACN, Nonterminal, was not found in name map.) (Residue 240: ACN, Nonterminal, was not found in name map.) (Residue 241: ACN, Nonterminal, was not found in name map.) (Residue 242: ACN, Nonterminal, was not found in name map.) (Residue 243: ACN, Nonterminal, was not found in name map.) (Residue 244: ACN, Nonterminal, was not found in name map.) (Residue 245: ACN, Nonterminal, was not found in name map.) (Residue 246: ACN, Nonterminal, was not found in name map.) (Residue 247: ACN, Nonterminal, was not found in name map.) (Residue 248: ACN, Nonterminal, was not found in name map.) (Residue 249: ACN, Nonterminal, was not found in name map.) (Residue 250: ACN, Nonterminal, was not found in name map.) (Residue 251: ACN, Nonterminal, was not found in name map.) (Residue 252: ACN, Nonterminal, was not found in name map.) (Residue 253: ACN, Nonterminal, was not found in name map.) (Residue 254: ACN, Nonterminal, was not found in name map.) (Residue 255: ACN, Nonterminal, was not found in name map.) (Residue 256: ACN, Nonterminal, was not found in name map.) (Residue 257: ACN, Nonterminal, was not found in name map.) (Residue 258: ACN, Nonterminal, was not found in name map.) (Residue 259: ACN, Nonterminal, was not found in name map.) (Residue 260: ACN, Nonterminal, was not found in name map.) (Residue 261: ACN, Nonterminal, was not found in name map.) (Residue 262: ACN, Nonterminal, was not found in name map.) (Residue 263: ACN, Nonterminal, was not found in name map.) (Residue 264: ACN, Nonterminal, was not found in name map.) (Residue 265: ACN, Nonterminal, was not found in name map.) (Residue 266: ACN, Nonterminal, was not found in name map.) (Residue 267: ACN, Nonterminal, was not found in name map.) (Residue 268: ACN, Nonterminal, was not found in name map.) (Residue 269: ACN, Nonterminal, was not found in name map.) (Residue 270: ACN, Nonterminal, was not found in name map.) (Residue 271: ACN, Nonterminal, was not found in name map.) (Residue 272: ACN, Nonterminal, was not found in name map.) (Residue 273: ACN, Nonterminal, was not found in name map.) (Residue 274: ACN, Nonterminal, was not found in name map.) (Residue 275: ACN, Nonterminal, was not found in name map.) (Residue 276: ACN, Nonterminal, was not found in name map.) (Residue 277: ACN, Nonterminal, was not found in name map.) (Residue 278: ACN, Nonterminal, was not found in name map.) (Residue 279: ACN, Nonterminal, was not found in name map.) (Residue 280: ACN, Nonterminal, was not found in name map.) (Residue 281: ACN, Nonterminal, was not found in name map.) (Residue 282: ACN, Nonterminal, was not found in name map.) (Residue 283: ACN, Nonterminal, was not found in name map.) (Residue 284: ACN, Nonterminal, was not found in name map.) (Residue 285: ACN, Nonterminal, was not found in name map.) (Residue 286: ACN, Nonterminal, was not found in name map.) (Residue 287: ACN, Nonterminal, was not found in name map.) (Residue 288: ACN, Nonterminal, was not found in name map.) (Residue 289: ACN, Nonterminal, was not found in name map.) (Residue 290: ACN, Nonterminal, was not found in name map.) (Residue 291: ACN, Nonterminal, was not found in name map.) (Residue 292: ACN, Nonterminal, was not found in name map.) (Residue 293: ACN, Nonterminal, was not found in name map.) (Residue 294: ACN, Nonterminal, was not found in name map.) (Residue 295: ACN, Nonterminal, was not found in name map.) (Residue 296: ACN, Nonterminal, was not found in name map.) (Residue 297: ACN, Nonterminal, was not found in name map.) (Residue 298: ACN, Nonterminal, was not found in name map.) (Residue 299: ACN, Nonterminal, was not found in name map.) (Residue 300: ACN, Nonterminal, was not found in name map.) (Residue 301: ACN, Nonterminal, was not found in name map.) (Residue 302: ACN, Nonterminal, was not found in name map.) (Residue 303: ACN, Nonterminal, was not found in name map.) (Residue 304: ACN, Nonterminal, was not found in name map.) (Residue 305: ACN, Nonterminal, was not found in name map.) (Residue 306: ACN, Nonterminal, was not found in name map.) (Residue 307: ACN, Nonterminal, was not found in name map.) (Residue 308: ACN, Nonterminal, was not found in name map.) (Residue 309: ACN, Nonterminal, was not found in name map.) (Residue 310: ACN, Nonterminal, was not found in name map.) (Residue 311: ACN, Nonterminal, was not found in name map.) (Residue 312: ACN, Nonterminal, was not found in name map.) (Residue 313: ACN, Nonterminal, was not found in name map.) (Residue 314: ACN, Nonterminal, was not found in name map.) (Residue 315: ACN, Nonterminal, was not found in name map.) (Residue 316: ACN, Nonterminal, was not found in name map.) (Residue 317: ACN, Nonterminal, was not found in name map.) (Residue 318: ACN, Nonterminal, was not found in name map.) (Residue 319: ACN, Nonterminal, was not found in name map.) (Residue 320: ACN, Nonterminal, was not found in name map.) (Residue 321: ACN, Nonterminal, was not found in name map.) (Residue 322: ACN, Nonterminal, was not found in name map.) (Residue 323: ACN, Nonterminal, was not found in name map.) (Residue 324: ACN, Nonterminal, was not found in name map.) (Residue 325: ACN, Nonterminal, was not found in name map.) (Residue 326: ACN, Nonterminal, was not found in name map.) (Residue 327: ACN, Nonterminal, was not found in name map.) (Residue 328: ACN, Nonterminal, was not found in name map.) (Residue 329: ACN, Nonterminal, was not found in name map.) (Residue 330: ACN, Nonterminal, was not found in name map.) (Residue 331: ACN, Nonterminal, was not found in name map.) (Residue 332: ACN, Nonterminal, was not found in name map.) (Residue 333: ACN, Nonterminal, was not found in name map.) (Residue 334: ACN, Nonterminal, was not found in name map.) (Residue 335: ACN, Nonterminal, was not found in name map.) (Residue 336: ACN, Nonterminal, was not found in name map.) (Residue 337: ACN, Nonterminal, was not found in name map.) (Residue 338: ACN, Nonterminal, was not found in name map.) (Residue 339: ACN, Nonterminal, was not found in name map.) (Residue 340: ACN, Nonterminal, was not found in name map.) (Residue 341: ACN, Nonterminal, was not found in name map.) (Residue 342: ACN, Nonterminal, was not found in name map.) (Residue 343: ACN, Nonterminal, was not found in name map.) (Residue 344: ACN, Nonterminal, was not found in name map.) (Residue 345: ACN, Nonterminal, was not found in name map.) (Residue 346: ACN, Nonterminal, was not found in name map.) (Residue 347: ACN, Nonterminal, was not found in name map.) (Residue 348: ACN, Nonterminal, was not found in name map.) (Residue 349: ACN, Nonterminal, was not found in name map.) (Residue 350: ACN, Nonterminal, was not found in name map.) (Residue 351: ACN, Nonterminal, was not found in name map.) (Residue 352: ACN, Nonterminal, was not found in name map.) (Residue 353: ACN, Nonterminal, was not found in name map.) (Residue 354: ACN, Nonterminal, was not found in name map.) (Residue 355: ACN, Nonterminal, was not found in name map.) (Residue 356: ACN, Nonterminal, was not found in name map.) (Residue 357: ACN, Terminal/last, was not found in name map.) Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN total atoms in file: 3984 > > loadamberparams frcmod.bf4 Loading parameters: ./frcmod.bf4 Reading force field modification type file (frcmod) Reading title: remark goes here (UNKNOWN ATOM TYPE: B) > > loadamberparams frcmod.bmi Loading parameters: ./frcmod.bmi Reading force field modification type file (frcmod) Reading title: remark goes here (UNKNOWN ATOM TYPE: DU) > > loadamberparams frcmod.acn Loading parameters: ./frcmod.acn Reading force field modification type file (frcmod) Reading title: remark goes here > > setbox ionicbox centers Box dimensions: 34.999000 35.000000 34.999000 > > saveAmberParm ionicbox ionicbox.prmtop ionicbox.inpcrd Checking Unit. ERROR: The unperturbed charge of the unit: 0.101898 is not integral. WARNING: The unperturbed charge of the unit: 0.101898 is not zero. -- ignoring the error and warning. Building topology. Building atom parameters. Building bond parameters. Building angle parameters. Building proper torsion parameters. 1-4: angle 523 528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 522 530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 522 528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 522 523 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 521 532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 521 530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 521 522 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 520 532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 520 521 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 548 553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 547 555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 547 553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 547 548 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 546 557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 546 555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 546 547 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 545 557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 545 546 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 573 578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 572 580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 572 578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 572 573 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 571 582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 571 580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 571 572 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 570 582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 570 571 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 598 603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 597 605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 597 603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 597 598 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 596 607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 596 605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 596 597 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 595 607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 595 596 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 623 628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 622 630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 622 628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 622 623 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 621 632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 621 630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 621 622 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 620 632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 620 621 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 648 653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 647 655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 647 653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 647 648 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 646 657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 646 655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 646 647 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 645 657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 645 646 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 673 678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 672 680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 672 678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 672 673 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 671 682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 671 680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 671 672 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 670 682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 670 671 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 698 703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 697 705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 697 703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 697 698 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 696 707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 696 705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 696 697 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 695 707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 695 696 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 723 728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 722 730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 722 728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 722 723 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 721 732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 721 730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 721 722 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 720 732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 720 721 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 748 753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 747 755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 747 753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 747 748 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 746 757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 746 755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 746 747 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 745 757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 745 746 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 773 778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 772 780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 772 778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 772 773 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 771 782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 771 780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 771 772 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 770 782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 770 771 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 798 803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 797 805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 797 803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 797 798 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 796 807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 796 805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 796 797 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 795 807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 795 796 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 823 828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 822 830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 822 828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 822 823 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 821 832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 821 830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 821 822 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 820 832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 820 821 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 848 853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 847 855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 847 853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 847 848 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 846 857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 846 855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 846 847 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 845 857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 845 846 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 873 878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 872 880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 872 878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 872 873 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 871 882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 871 880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 871 872 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 870 882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 870 871 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 898 903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 897 905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 897 903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 897 898 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 896 907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 896 905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 896 897 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 895 907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 895 896 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 923 928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 922 930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 922 928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 922 923 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 921 932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 921 930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 921 922 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 920 932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 920 921 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 948 953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 947 955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 947 953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 947 948 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 946 957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 946 955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 946 947 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 945 957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 945 946 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 973 978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 972 980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 972 978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 972 973 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 971 982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 971 980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 971 972 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 970 982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 970 971 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 998 1003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 997 1005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 997 1003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 997 998 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 996 1007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 996 1005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 996 997 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 995 1007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 995 996 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1023 1028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1022 1030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1022 1028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1022 1023 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1021 1032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1021 1030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1021 1022 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1020 1032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1020 1021 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1048 1053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1047 1055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1047 1053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1047 1048 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1046 1057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1046 1055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1046 1047 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1045 1057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1045 1046 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1073 1078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1072 1080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1072 1078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1072 1073 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1071 1082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1071 1080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1071 1072 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1070 1082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1070 1071 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1098 1103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1097 1105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1097 1103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1097 1098 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1096 1107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1096 1105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1096 1097 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1095 1107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1095 1096 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1123 1128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1122 1130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1122 1128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1122 1123 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1121 1132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1121 1130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1121 1122 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1120 1132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1120 1121 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1148 1153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1147 1155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1147 1153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1147 1148 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1146 1157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1146 1155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1146 1147 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1145 1157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1145 1146 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1173 1178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1172 1180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1172 1178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1172 1173 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1171 1182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1171 1180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1171 1172 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1170 1182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1170 1171 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1198 1203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1197 1205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1197 1203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1197 1198 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1196 1207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1196 1205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1196 1197 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1195 1207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1195 1196 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1223 1228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1222 1230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1222 1228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1222 1223 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1221 1232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1221 1230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1221 1222 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1220 1232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1220 1221 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1248 1253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1247 1255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1247 1253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1247 1248 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1246 1257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1246 1255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1246 1247 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1245 1257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1245 1246 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1273 1278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1272 1280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1272 1278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1272 1273 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1271 1282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1271 1280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1271 1272 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1270 1282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1270 1271 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1298 1303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1297 1305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1297 1303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1297 1298 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1296 1307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1296 1305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1296 1297 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1295 1307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1295 1296 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1323 1328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1322 1330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1322 1328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1322 1323 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1321 1332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1321 1330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1321 1322 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1320 1332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1320 1321 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1348 1353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1347 1355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1347 1353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1347 1348 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1346 1357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1346 1355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1346 1347 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1345 1357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1345 1346 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1373 1378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1372 1380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1372 1378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1372 1373 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1371 1382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1371 1380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1371 1372 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1370 1382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1370 1371 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1398 1403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1397 1405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1397 1403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1397 1398 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1396 1407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1396 1405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1396 1397 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1395 1407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1395 1396 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1423 1428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1422 1430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1422 1428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1422 1423 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1421 1432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1421 1430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1421 1422 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1420 1432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1420 1421 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1448 1453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1447 1455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1447 1453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1447 1448 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1446 1457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1446 1455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1446 1447 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1445 1457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1445 1446 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1473 1478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1472 1480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1472 1478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1472 1473 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1471 1482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1471 1480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1471 1472 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1470 1482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1470 1471 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1498 1503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1497 1505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1497 1503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1497 1498 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1496 1507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1496 1505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1496 1497 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1495 1507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1495 1496 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1523 1528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1522 1530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1522 1528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1522 1523 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1521 1532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1521 1530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1521 1522 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1520 1532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1520 1521 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1548 1553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1547 1555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1547 1553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1547 1548 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1546 1557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1546 1555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1546 1547 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1545 1557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1545 1546 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1573 1578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1572 1580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1572 1578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1572 1573 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1571 1582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1571 1580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1571 1572 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1570 1582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1570 1571 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1598 1603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1597 1605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1597 1603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1597 1598 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1596 1607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1596 1605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1596 1597 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1595 1607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1595 1596 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1623 1628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1622 1630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1622 1628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1622 1623 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1621 1632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1621 1630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1621 1622 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1620 1632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1620 1621 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1648 1653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1647 1655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1647 1653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1647 1648 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1646 1657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1646 1655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1646 1647 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1645 1657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1645 1646 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1673 1678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1672 1680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1672 1678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1672 1673 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1671 1682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1671 1680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1671 1672 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1670 1682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1670 1671 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1698 1703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1697 1705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1697 1703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1697 1698 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1696 1707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1696 1705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1696 1697 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1695 1707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1695 1696 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1723 1728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1722 1730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1722 1728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1722 1723 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1721 1732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1721 1730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1721 1722 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1720 1732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1720 1721 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1748 1753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1747 1755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1747 1753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1747 1748 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1746 1757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1746 1755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1746 1747 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1745 1757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1745 1746 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1773 1778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1772 1780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1772 1778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1772 1773 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1771 1782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1771 1780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1771 1772 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1770 1782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1770 1771 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1798 1803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1797 1805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1797 1803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1797 1798 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1796 1807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1796 1805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1796 1797 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1795 1807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1795 1796 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1823 1828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1822 1830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1822 1828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1822 1823 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1821 1832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1821 1830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1821 1822 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1820 1832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1820 1821 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1848 1853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1847 1855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1847 1853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1847 1848 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1846 1857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1846 1855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1846 1847 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1845 1857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1845 1846 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1873 1878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1872 1880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1872 1878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1872 1873 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1871 1882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1871 1880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1871 1872 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1870 1882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1870 1871 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1898 1903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1897 1905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1897 1903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1897 1898 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1896 1907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1896 1905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1896 1897 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1895 1907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1895 1896 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1923 1928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1922 1930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1922 1928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1922 1923 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1921 1932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1921 1930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1921 1922 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1920 1932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1920 1921 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1948 1953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1947 1955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1947 1953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1947 1948 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1946 1957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1946 1955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1946 1947 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1945 1957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1945 1946 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1973 1978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1972 1980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1972 1978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1972 1973 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1971 1982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1971 1980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1971 1972 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1970 1982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1970 1971 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1998 2003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1997 2005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1997 2003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1997 1998 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1996 2007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1996 2005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1996 1997 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1995 2007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1995 1996 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2023 2028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2022 2030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2022 2028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2022 2023 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2021 2032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2021 2030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2021 2022 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2020 2032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2020 2021 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2048 2053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2047 2055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2047 2053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2047 2048 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2046 2057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2046 2055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2046 2047 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2045 2057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2045 2046 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2073 2078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2072 2080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2072 2078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2072 2073 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2071 2082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2071 2080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2071 2072 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2070 2082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2070 2071 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2098 2103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2097 2105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2097 2103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2097 2098 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2096 2107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2096 2105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2096 2097 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2095 2107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2095 2096 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2123 2128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2122 2130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2122 2128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2122 2123 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2121 2132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2121 2130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2121 2122 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2120 2132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2120 2121 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2148 2153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2147 2155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2147 2153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2147 2148 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2146 2157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2146 2155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2146 2147 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2145 2157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2145 2146 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2173 2178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2172 2180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2172 2178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2172 2173 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2171 2182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2171 2180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2171 2172 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2170 2182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2170 2171 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2198 2203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2197 2205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2197 2203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2197 2198 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2196 2207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2196 2205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2196 2197 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2195 2207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2195 2196 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2223 2228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2222 2230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2222 2228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2222 2223 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2221 2232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2221 2230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2221 2222 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2220 2232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2220 2221 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2248 2253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2247 2255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2247 2253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2247 2248 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2246 2257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2246 2255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2246 2247 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2245 2257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2245 2246 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2273 2278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2272 2280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2272 2278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2272 2273 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2271 2282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2271 2280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2271 2272 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2270 2282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2270 2271 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2298 2303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2297 2305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2297 2303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2297 2298 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2296 2307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2296 2305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2296 2297 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2295 2307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2295 2296 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2323 2328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2322 2330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2322 2328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2322 2323 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2321 2332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2321 2330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2321 2322 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2320 2332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2320 2321 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2348 2353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2347 2355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2347 2353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2347 2348 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2346 2357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2346 2355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2346 2347 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2345 2357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2345 2346 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2373 2378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2372 2380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2372 2378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2372 2373 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2371 2382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2371 2380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2371 2372 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2370 2382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2370 2371 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2398 2403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2397 2405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2397 2403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2397 2398 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2396 2407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2396 2405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2396 2397 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2395 2407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2395 2396 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2423 2428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2422 2430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2422 2428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2422 2423 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2421 2432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2421 2430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2421 2422 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2420 2432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2420 2421 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2448 2453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2447 2455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2447 2453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2447 2448 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2446 2457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2446 2455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2446 2447 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2445 2457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2445 2446 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2473 2478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2472 2480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2472 2478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2472 2473 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2471 2482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2471 2480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2471 2472 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2470 2482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2470 2471 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2498 2503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2497 2505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2497 2503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2497 2498 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2496 2507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2496 2505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2496 2497 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2495 2507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2495 2496 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2523 2528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2522 2530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2522 2528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2522 2523 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2521 2532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2521 2530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2521 2522 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2520 2532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2520 2521 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2548 2553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2547 2555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2547 2553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2547 2548 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2546 2557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2546 2555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2546 2547 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2545 2557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2545 2546 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2573 2578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2572 2580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2572 2578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2572 2573 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2571 2582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2571 2580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2571 2572 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2570 2582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2570 2571 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2598 2603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2597 2605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2597 2603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2597 2598 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2596 2607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2596 2605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2596 2597 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2595 2607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2595 2596 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2623 2628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2622 2630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2622 2628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2622 2623 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2621 2632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2621 2630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2621 2622 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2620 2632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2620 2621 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2648 2653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2647 2655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2647 2653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2647 2648 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2646 2657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2646 2655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2646 2647 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2645 2657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2645 2646 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2673 2678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2672 2680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2672 2678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2672 2673 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2671 2682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2671 2680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2671 2672 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2670 2682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2670 2671 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2698 2703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2697 2705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2697 2703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2697 2698 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2696 2707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2696 2705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2696 2697 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2695 2707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2695 2696 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2723 2728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2722 2730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2722 2728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2722 2723 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2721 2732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2721 2730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2721 2722 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2720 2732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2720 2721 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2748 2753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2747 2755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2747 2753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2747 2748 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2746 2757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2746 2755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2746 2747 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2745 2757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2745 2746 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2773 2778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2772 2780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2772 2778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2772 2773 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2771 2782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2771 2780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2771 2772 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2770 2782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2770 2771 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2798 2803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2797 2805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2797 2803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2797 2798 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2796 2807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2796 2805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2796 2797 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2795 2807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2795 2796 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2823 2828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2822 2830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2822 2828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2822 2823 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2821 2832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2821 2830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2821 2822 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2820 2832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2820 2821 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2848 2853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2847 2855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2847 2853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2847 2848 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2846 2857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2846 2855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2846 2847 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2845 2857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2845 2846 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2873 2878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2872 2880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2872 2878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2872 2873 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2871 2882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2871 2880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2871 2872 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2870 2882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2870 2871 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2898 2903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2897 2905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2897 2903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2897 2898 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2896 2907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2896 2905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2896 2897 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2895 2907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2895 2896 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2923 2928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2922 2930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2922 2928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2922 2923 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2921 2932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2921 2930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2921 2922 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2920 2932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2920 2921 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2948 2953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2947 2955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2947 2953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2947 2948 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2946 2957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2946 2955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2946 2947 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2945 2957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2945 2946 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2973 2978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2972 2980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2972 2978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2972 2973 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2971 2982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2971 2980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2971 2972 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2970 2982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2970 2971 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2998 3003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2997 3005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2997 3003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2997 2998 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2996 3007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2996 3005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2996 2997 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2995 3007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2995 2996 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3023 3028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3022 3030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3022 3028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3022 3023 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3021 3032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3021 3030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3021 3022 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3020 3032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3020 3021 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3048 3053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3047 3055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3047 3053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3047 3048 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3046 3057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3046 3055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3046 3047 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3045 3057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3045 3046 duplicates bond ('triangular' bond) or angle ('square' bond) Building improper torsion parameters. total 510 improper torsions applied Building H-Bond parameters. Incorporating Non-Bonded adjustments. Not Marking per-residue atom chain types. Marking per-residue atom chain types. (Residues lacking connect0/connect1 - these don't have chain types marked: res total affected ACN 154 BF4 102 BMI 102 ) (no restraints) log started: Tue Mar 3 16:02:58 2015 Log file: ./leap.log >> # >> # ----- leaprc for loading the general Amber Force field. >> # This file is mostly for use with Antechamber >> # >> # load atom type hybridizations >> # >> addAtomTypes { >> { "h1" "H" "sp3" } >> { "h2" "H" "sp3" } >> { "h3" "H" "sp3" } >> { "h4" "H" "sp3" } >> { "h5" "H" "sp3" } >> { "ha" "H" "sp3" } >> { "hc" "H" "sp3" } >> { "hn" "H" "sp3" } >> { "ho" "H" "sp3" } >> { "hp" "H" "sp3" } >> { "hs" "H" "sp3" } >> { "hw" "H" "sp3" } >> { "hx" "H" "sp3" } >> { "o" "O" "sp2" } >> { "o2" "O" "sp2" } >> { "oh" "O" "sp3" } >> { "os" "O" "sp3" } >> { "ow" "O" "sp3" } >> { "c" "C" "sp2" } >> { "c1" "C" "sp2" } >> { "c2" "C" "sp2" } >> { "c3" "C" "sp3" } >> { "ca" "C" "sp2" } >> { "cc" "C" "sp2" } >> { "cd" "C" "sp2" } >> { "ce" "C" "sp2" } >> { "cf" "C" "sp2" } >> { "cg" "C" "sp2" } >> { "ch" "C" "sp2" } >> { "cp" "C" "sp2" } >> { "cq" "C" "sp2" } >> { "cu" "C" "sp2" } >> { "cv" "C" "sp2" } >> { "cx" "C" "sp2" } >> { "cy" "C" "sp2" } >> { "cz" "C" "sp2" } >> { "n" "N" "sp2" } >> { "n1" "N" "sp2" } >> { "n2" "N" "sp2" } >> { "n3" "N" "sp3" } >> { "n4" "N" "sp3" } >> { "na" "N" "sp2" } >> { "nb" "N" "sp2" } >> { "nc" "N" "sp2" } >> { "nd" "N" "sp2" } >> { "ne" "N" "sp2" } >> { "nf" "N" "sp2" } >> { "nh" "N" "sp2" } >> { "no" "N" "sp2" } >> { "s" "S" "sp2" } >> { "s2" "S" "sp2" } >> { "s3" "S" "sp3" } >> { "s4" "S" "sp3" } >> { "s6" "S" "sp3" } >> { "sh" "S" "sp3" } >> { "ss" "S" "sp3" } >> { "sx" "S" "sp3" } >> { "sy" "S" "sp3" } >> { "p2" "P" "sp2" } >> { "p3" "P" "sp3" } >> { "p4" "P" "sp3" } >> { "p5" "P" "sp3" } >> { "pb" "P" "sp3" } >> { "pc" "P" "sp3" } >> { "pd" "P" "sp3" } >> { "pe" "P" "sp3" } >> { "pf" "P" "sp3" } >> { "px" "P" "sp3" } >> { "py" "P" "sp3" } >> { "f" "F" "sp3" } >> { "cl" "Cl" "sp3" } >> { "br" "Br" "sp3" } >> { "i" "I" "sp3" } >> } >> # >> # Load the general force field parameter set. >> # >> gaff = loadamberparams gaff.dat Loading parameters: /home/farm/Programs/Amber12/amber12/dat/leap/parm/gaff.dat Reading title: AMBER General Force Field for organic molecules (Version 1.5, January 2013) > > > BMI = loadmol2 bmi.mol2 Loading Mol2 file: ./bmi.mol2 Reading MOLECULE named BMI > > BF4 = loadmol2 bf4.mol2 Loading Mol2 file: ./bf4.mol2 Reading MOLECULE named BF4 > > ACN = loadmol2 acn.mol2 Loading Mol2 file: ./acn.mol2 Reading MOLECULE named ACN > > ionicbox = loadPdb ionicbox.pdb Loading PDB file: ./ionicbox.pdb Enter zPdbReadScan from call depth 0. (starting new molecule for chain B) (starting new molecule for chain C) Exit zPdbReadScan from call depth 0. Matching PDB residue names to LEaP variables. (Residue 0: BF4, Terminal/beginning, was not found in name map.) (Residue 1: BF4, Nonterminal, was not found in name map.) (Residue 2: BF4, Nonterminal, was not found in name map.) (Residue 3: BF4, Nonterminal, was not found in name map.) (Residue 4: BF4, Nonterminal, was not found in name map.) (Residue 5: BF4, Nonterminal, was not found in name map.) (Residue 6: BF4, Nonterminal, was not found in name map.) (Residue 7: BF4, Nonterminal, was not found in name map.) (Residue 8: BF4, Nonterminal, was not found in name map.) (Residue 9: BF4, Nonterminal, was not found in name map.) (Residue 10: BF4, Nonterminal, was not found in name map.) (Residue 11: BF4, Nonterminal, was not found in name map.) (Residue 12: BF4, Nonterminal, was not found in name map.) (Residue 13: BF4, Nonterminal, was not found in name map.) (Residue 14: BF4, Nonterminal, was not found in name map.) (Residue 15: BF4, Nonterminal, was not found in name map.) (Residue 16: BF4, Nonterminal, was not found in name map.) (Residue 17: BF4, Nonterminal, was not found in name map.) (Residue 18: BF4, Nonterminal, was not found in name map.) (Residue 19: BF4, Nonterminal, was not found in name map.) (Residue 20: BF4, Nonterminal, was not found in name map.) (Residue 21: BF4, Nonterminal, was not found in name map.) (Residue 22: BF4, Nonterminal, was not found in name map.) (Residue 23: BF4, Nonterminal, was not found in name map.) (Residue 24: BF4, Nonterminal, was not found in name map.) (Residue 25: BF4, Nonterminal, was not found in name map.) (Residue 26: BF4, Nonterminal, was not found in name map.) (Residue 27: BF4, Nonterminal, was not found in name map.) (Residue 28: BF4, Nonterminal, was not found in name map.) (Residue 29: BF4, Nonterminal, was not found in name map.) (Residue 30: BF4, Nonterminal, was not found in name map.) (Residue 31: BF4, Nonterminal, was not found in name map.) (Residue 32: BF4, Nonterminal, was not found in name map.) (Residue 33: BF4, Nonterminal, was not found in name map.) (Residue 34: BF4, Nonterminal, was not found in name map.) (Residue 35: BF4, Nonterminal, was not found in name map.) (Residue 36: BF4, Nonterminal, was not found in name map.) (Residue 37: BF4, Nonterminal, was not found in name map.) (Residue 38: BF4, Nonterminal, was not found in name map.) (Residue 39: BF4, Nonterminal, was not found in name map.) (Residue 40: BF4, Nonterminal, was not found in name map.) (Residue 41: BF4, Nonterminal, was not found in name map.) (Residue 42: BF4, Nonterminal, was not found in name map.) (Residue 43: BF4, Nonterminal, was not found in name map.) (Residue 44: BF4, Nonterminal, was not found in name map.) (Residue 45: BF4, Nonterminal, was not found in name map.) (Residue 46: BF4, Nonterminal, was not found in name map.) (Residue 47: BF4, Nonterminal, was not found in name map.) (Residue 48: BF4, Nonterminal, was not found in name map.) (Residue 49: BF4, Nonterminal, was not found in name map.) (Residue 50: BF4, Nonterminal, was not found in name map.) (Residue 51: BF4, Nonterminal, was not found in name map.) (Residue 52: BF4, Nonterminal, was not found in name map.) (Residue 53: BF4, Nonterminal, was not found in name map.) (Residue 54: BF4, Nonterminal, was not found in name map.) (Residue 55: BF4, Nonterminal, was not found in name map.) (Residue 56: BF4, Nonterminal, was not found in name map.) (Residue 57: BF4, Nonterminal, was not found in name map.) (Residue 58: BF4, Nonterminal, was not found in name map.) (Residue 59: BF4, Nonterminal, was not found in name map.) (Residue 60: BF4, Nonterminal, was not found in name map.) (Residue 61: BF4, Nonterminal, was not found in name map.) (Residue 62: BF4, Nonterminal, was not found in name map.) (Residue 63: BF4, Nonterminal, was not found in name map.) (Residue 64: BF4, Nonterminal, was not found in name map.) (Residue 65: BF4, Nonterminal, was not found in name map.) (Residue 66: BF4, Nonterminal, was not found in name map.) (Residue 67: BF4, Nonterminal, was not found in name map.) (Residue 68: BF4, Nonterminal, was not found in name map.) (Residue 69: BF4, Nonterminal, was not found in name map.) (Residue 70: BF4, Nonterminal, was not found in name map.) (Residue 71: BF4, Nonterminal, was not found in name map.) (Residue 72: BF4, Nonterminal, was not found in name map.) (Residue 73: BF4, Nonterminal, was not found in name map.) (Residue 74: BF4, Nonterminal, was not found in name map.) (Residue 75: BF4, Nonterminal, was not found in name map.) (Residue 76: BF4, Nonterminal, was not found in name map.) (Residue 77: BF4, Nonterminal, was not found in name map.) (Residue 78: BF4, Nonterminal, was not found in name map.) (Residue 79: BF4, Nonterminal, was not found in name map.) (Residue 80: BF4, Nonterminal, was not found in name map.) (Residue 81: BF4, Nonterminal, was not found in name map.) (Residue 82: BF4, Nonterminal, was not found in name map.) (Residue 83: BF4, Nonterminal, was not found in name map.) (Residue 84: BF4, Nonterminal, was not found in name map.) (Residue 85: BF4, Nonterminal, was not found in name map.) (Residue 86: BF4, Nonterminal, was not found in name map.) (Residue 87: BF4, Nonterminal, was not found in name map.) (Residue 88: BF4, Nonterminal, was not found in name map.) (Residue 89: BF4, Nonterminal, was not found in name map.) (Residue 90: BF4, Nonterminal, was not found in name map.) (Residue 91: BF4, Nonterminal, was not found in name map.) (Residue 92: BF4, Nonterminal, was not found in name map.) (Residue 93: BF4, Nonterminal, was not found in name map.) (Residue 94: BF4, Nonterminal, was not found in name map.) (Residue 95: BF4, Nonterminal, was not found in name map.) (Residue 96: BF4, Nonterminal, was not found in name map.) (Residue 97: BF4, Nonterminal, was not found in name map.) (Residue 98: BF4, Nonterminal, was not found in name map.) (Residue 99: BF4, Nonterminal, was not found in name map.) (Residue 100: BF4, Nonterminal, was not found in name map.) (Residue 101: BF4, Terminal/last, was not found in name map.) (Residue 102: BMI, Terminal/beginning, was not found in name map.) (Residue 103: BMI, Nonterminal, was not found in name map.) (Residue 104: BMI, Nonterminal, was not found in name map.) (Residue 105: BMI, Nonterminal, was not found in name map.) (Residue 106: BMI, Nonterminal, was not found in name map.) (Residue 107: BMI, Nonterminal, was not found in name map.) (Residue 108: BMI, Nonterminal, was not found in name map.) (Residue 109: BMI, Nonterminal, was not found in name map.) (Residue 110: BMI, Nonterminal, was not found in name map.) (Residue 111: BMI, Nonterminal, was not found in name map.) (Residue 112: BMI, Nonterminal, was not found in name map.) (Residue 113: BMI, Nonterminal, was not found in name map.) (Residue 114: BMI, Nonterminal, was not found in name map.) (Residue 115: BMI, Nonterminal, was not found in name map.) (Residue 116: BMI, Nonterminal, was not found in name map.) (Residue 117: BMI, Nonterminal, was not found in name map.) (Residue 118: BMI, Nonterminal, was not found in name map.) (Residue 119: BMI, Nonterminal, was not found in name map.) (Residue 120: BMI, Nonterminal, was not found in name map.) (Residue 121: BMI, Nonterminal, was not found in name map.) (Residue 122: BMI, Nonterminal, was not found in name map.) (Residue 123: BMI, Nonterminal, was not found in name map.) (Residue 124: BMI, Nonterminal, was not found in name map.) (Residue 125: BMI, Nonterminal, was not found in name map.) (Residue 126: BMI, Nonterminal, was not found in name map.) (Residue 127: BMI, Nonterminal, was not found in name map.) (Residue 128: BMI, Nonterminal, was not found in name map.) (Residue 129: BMI, Nonterminal, was not found in name map.) (Residue 130: BMI, Nonterminal, was not found in name map.) (Residue 131: BMI, Nonterminal, was not found in name map.) (Residue 132: BMI, Nonterminal, was not found in name map.) (Residue 133: BMI, Nonterminal, was not found in name map.) (Residue 134: BMI, Nonterminal, was not found in name map.) (Residue 135: BMI, Nonterminal, was not found in name map.) (Residue 136: BMI, Nonterminal, was not found in name map.) (Residue 137: BMI, Nonterminal, was not found in name map.) (Residue 138: BMI, Nonterminal, was not found in name map.) (Residue 139: BMI, Nonterminal, was not found in name map.) (Residue 140: BMI, Nonterminal, was not found in name map.) (Residue 141: BMI, Nonterminal, was not found in name map.) (Residue 142: BMI, Nonterminal, was not found in name map.) (Residue 143: BMI, Nonterminal, was not found in name map.) (Residue 144: BMI, Nonterminal, was not found in name map.) (Residue 145: BMI, Nonterminal, was not found in name map.) (Residue 146: BMI, Nonterminal, was not found in name map.) (Residue 147: BMI, Nonterminal, was not found in name map.) (Residue 148: BMI, Nonterminal, was not found in name map.) (Residue 149: BMI, Nonterminal, was not found in name map.) (Residue 150: BMI, Nonterminal, was not found in name map.) (Residue 151: BMI, Nonterminal, was not found in name map.) (Residue 152: BMI, Nonterminal, was not found in name map.) (Residue 153: BMI, Nonterminal, was not found in name map.) (Residue 154: BMI, Nonterminal, was not found in name map.) (Residue 155: BMI, Nonterminal, was not found in name map.) (Residue 156: BMI, Nonterminal, was not found in name map.) (Residue 157: BMI, Nonterminal, was not found in name map.) (Residue 158: BMI, Nonterminal, was not found in name map.) (Residue 159: BMI, Nonterminal, was not found in name map.) (Residue 160: BMI, Nonterminal, was not found in name map.) (Residue 161: BMI, Nonterminal, was not found in name map.) (Residue 162: BMI, Nonterminal, was not found in name map.) (Residue 163: BMI, Nonterminal, was not found in name map.) (Residue 164: BMI, Nonterminal, was not found in name map.) (Residue 165: BMI, Nonterminal, was not found in name map.) (Residue 166: BMI, Nonterminal, was not found in name map.) (Residue 167: BMI, Nonterminal, was not found in name map.) (Residue 168: BMI, Nonterminal, was not found in name map.) (Residue 169: BMI, Nonterminal, was not found in name map.) (Residue 170: BMI, Nonterminal, was not found in name map.) (Residue 171: BMI, Nonterminal, was not found in name map.) (Residue 172: BMI, Nonterminal, was not found in name map.) (Residue 173: BMI, Nonterminal, was not found in name map.) (Residue 174: BMI, Nonterminal, was not found in name map.) (Residue 175: BMI, Nonterminal, was not found in name map.) (Residue 176: BMI, Nonterminal, was not found in name map.) (Residue 177: BMI, Nonterminal, was not found in name map.) (Residue 178: BMI, Nonterminal, was not found in name map.) (Residue 179: BMI, Nonterminal, was not found in name map.) (Residue 180: BMI, Nonterminal, was not found in name map.) (Residue 181: BMI, Nonterminal, was not found in name map.) (Residue 182: BMI, Nonterminal, was not found in name map.) (Residue 183: BMI, Nonterminal, was not found in name map.) (Residue 184: BMI, Nonterminal, was not found in name map.) (Residue 185: BMI, Nonterminal, was not found in name map.) (Residue 186: BMI, Nonterminal, was not found in name map.) (Residue 187: BMI, Nonterminal, was not found in name map.) (Residue 188: BMI, Nonterminal, was not found in name map.) (Residue 189: BMI, Nonterminal, was not found in name map.) (Residue 190: BMI, Nonterminal, was not found in name map.) (Residue 191: BMI, Nonterminal, was not found in name map.) (Residue 192: BMI, Nonterminal, was not found in name map.) (Residue 193: BMI, Nonterminal, was not found in name map.) (Residue 194: BMI, Nonterminal, was not found in name map.) (Residue 195: BMI, Nonterminal, was not found in name map.) (Residue 196: BMI, Nonterminal, was not found in name map.) (Residue 197: BMI, Nonterminal, was not found in name map.) (Residue 198: BMI, Nonterminal, was not found in name map.) (Residue 199: BMI, Nonterminal, was not found in name map.) (Residue 200: BMI, Nonterminal, was not found in name map.) (Residue 201: BMI, Nonterminal, was not found in name map.) (Residue 202: BMI, Nonterminal, was not found in name map.) (Residue 203: BMI, Terminal/last, was not found in name map.) (Residue 204: ACN, Terminal/beginning, was not found in name map.) (Residue 205: ACN, Nonterminal, was not found in name map.) (Residue 206: ACN, Nonterminal, was not found in name map.) (Residue 207: ACN, Nonterminal, was not found in name map.) (Residue 208: ACN, Nonterminal, was not found in name map.) (Residue 209: ACN, Nonterminal, was not found in name map.) (Residue 210: ACN, Nonterminal, was not found in name map.) (Residue 211: ACN, Nonterminal, was not found in name map.) (Residue 212: ACN, Nonterminal, was not found in name map.) (Residue 213: ACN, Nonterminal, was not found in name map.) (Residue 214: ACN, Nonterminal, was not found in name map.) (Residue 215: ACN, Nonterminal, was not found in name map.) (Residue 216: ACN, Nonterminal, was not found in name map.) (Residue 217: ACN, Nonterminal, was not found in name map.) (Residue 218: ACN, Nonterminal, was not found in name map.) (Residue 219: ACN, Nonterminal, was not found in name map.) (Residue 220: ACN, Nonterminal, was not found in name map.) (Residue 221: ACN, Nonterminal, was not found in name map.) (Residue 222: ACN, Nonterminal, was not found in name map.) (Residue 223: ACN, Nonterminal, was not found in name map.) (Residue 224: ACN, Nonterminal, was not found in name map.) (Residue 225: ACN, Nonterminal, was not found in name map.) (Residue 226: ACN, Nonterminal, was not found in name map.) (Residue 227: ACN, Nonterminal, was not found in name map.) (Residue 228: ACN, Nonterminal, was not found in name map.) (Residue 229: ACN, Nonterminal, was not found in name map.) (Residue 230: ACN, Nonterminal, was not found in name map.) (Residue 231: ACN, Nonterminal, was not found in name map.) (Residue 232: ACN, Nonterminal, was not found in name map.) (Residue 233: ACN, Nonterminal, was not found in name map.) (Residue 234: ACN, Nonterminal, was not found in name map.) (Residue 235: ACN, Nonterminal, was not found in name map.) (Residue 236: ACN, Nonterminal, was not found in name map.) (Residue 237: ACN, Nonterminal, was not found in name map.) (Residue 238: ACN, Nonterminal, was not found in name map.) (Residue 239: ACN, Nonterminal, was not found in name map.) (Residue 240: ACN, Nonterminal, was not found in name map.) (Residue 241: ACN, Nonterminal, was not found in name map.) (Residue 242: ACN, Nonterminal, was not found in name map.) (Residue 243: ACN, Nonterminal, was not found in name map.) (Residue 244: ACN, Nonterminal, was not found in name map.) (Residue 245: ACN, Nonterminal, was not found in name map.) (Residue 246: ACN, Nonterminal, was not found in name map.) (Residue 247: ACN, Nonterminal, was not found in name map.) (Residue 248: ACN, Nonterminal, was not found in name map.) (Residue 249: ACN, Nonterminal, was not found in name map.) (Residue 250: ACN, Nonterminal, was not found in name map.) (Residue 251: ACN, Nonterminal, was not found in name map.) (Residue 252: ACN, Nonterminal, was not found in name map.) (Residue 253: ACN, Nonterminal, was not found in name map.) (Residue 254: ACN, Nonterminal, was not found in name map.) (Residue 255: ACN, Nonterminal, was not found in name map.) (Residue 256: ACN, Nonterminal, was not found in name map.) (Residue 257: ACN, Nonterminal, was not found in name map.) (Residue 258: ACN, Nonterminal, was not found in name map.) (Residue 259: ACN, Nonterminal, was not found in name map.) (Residue 260: ACN, Nonterminal, was not found in name map.) (Residue 261: ACN, Nonterminal, was not found in name map.) (Residue 262: ACN, Nonterminal, was not found in name map.) (Residue 263: ACN, Nonterminal, was not found in name map.) (Residue 264: ACN, Nonterminal, was not found in name map.) (Residue 265: ACN, Nonterminal, was not found in name map.) (Residue 266: ACN, Nonterminal, was not found in name map.) (Residue 267: ACN, Nonterminal, was not found in name map.) (Residue 268: ACN, Nonterminal, was not found in name map.) (Residue 269: ACN, Nonterminal, was not found in name map.) (Residue 270: ACN, Nonterminal, was not found in name map.) (Residue 271: ACN, Nonterminal, was not found in name map.) (Residue 272: ACN, Nonterminal, was not found in name map.) (Residue 273: ACN, Nonterminal, was not found in name map.) (Residue 274: ACN, Nonterminal, was not found in name map.) (Residue 275: ACN, Nonterminal, was not found in name map.) (Residue 276: ACN, Nonterminal, was not found in name map.) (Residue 277: ACN, Nonterminal, was not found in name map.) (Residue 278: ACN, Nonterminal, was not found in name map.) (Residue 279: ACN, Nonterminal, was not found in name map.) (Residue 280: ACN, Nonterminal, was not found in name map.) (Residue 281: ACN, Nonterminal, was not found in name map.) (Residue 282: ACN, Nonterminal, was not found in name map.) (Residue 283: ACN, Nonterminal, was not found in name map.) (Residue 284: ACN, Nonterminal, was not found in name map.) (Residue 285: ACN, Nonterminal, was not found in name map.) (Residue 286: ACN, Nonterminal, was not found in name map.) (Residue 287: ACN, Nonterminal, was not found in name map.) (Residue 288: ACN, Nonterminal, was not found in name map.) (Residue 289: ACN, Nonterminal, was not found in name map.) (Residue 290: ACN, Nonterminal, was not found in name map.) (Residue 291: ACN, Nonterminal, was not found in name map.) (Residue 292: ACN, Nonterminal, was not found in name map.) (Residue 293: ACN, Nonterminal, was not found in name map.) (Residue 294: ACN, Nonterminal, was not found in name map.) (Residue 295: ACN, Nonterminal, was not found in name map.) (Residue 296: ACN, Nonterminal, was not found in name map.) (Residue 297: ACN, Nonterminal, was not found in name map.) (Residue 298: ACN, Nonterminal, was not found in name map.) (Residue 299: ACN, Nonterminal, was not found in name map.) (Residue 300: ACN, Nonterminal, was not found in name map.) (Residue 301: ACN, Nonterminal, was not found in name map.) (Residue 302: ACN, Nonterminal, was not found in name map.) (Residue 303: ACN, Nonterminal, was not found in name map.) (Residue 304: ACN, Nonterminal, was not found in name map.) (Residue 305: ACN, Nonterminal, was not found in name map.) (Residue 306: ACN, Nonterminal, was not found in name map.) (Residue 307: ACN, Nonterminal, was not found in name map.) (Residue 308: ACN, Nonterminal, was not found in name map.) (Residue 309: ACN, Nonterminal, was not found in name map.) (Residue 310: ACN, Nonterminal, was not found in name map.) (Residue 311: ACN, Nonterminal, was not found in name map.) (Residue 312: ACN, Nonterminal, was not found in name map.) (Residue 313: ACN, Nonterminal, was not found in name map.) (Residue 314: ACN, Nonterminal, was not found in name map.) (Residue 315: ACN, Nonterminal, was not found in name map.) (Residue 316: ACN, Nonterminal, was not found in name map.) (Residue 317: ACN, Nonterminal, was not found in name map.) (Residue 318: ACN, Nonterminal, was not found in name map.) (Residue 319: ACN, Nonterminal, was not found in name map.) (Residue 320: ACN, Nonterminal, was not found in name map.) (Residue 321: ACN, Nonterminal, was not found in name map.) (Residue 322: ACN, Nonterminal, was not found in name map.) (Residue 323: ACN, Nonterminal, was not found in name map.) (Residue 324: ACN, Nonterminal, was not found in name map.) (Residue 325: ACN, Nonterminal, was not found in name map.) (Residue 326: ACN, Nonterminal, was not found in name map.) (Residue 327: ACN, Nonterminal, was not found in name map.) (Residue 328: ACN, Nonterminal, was not found in name map.) (Residue 329: ACN, Nonterminal, was not found in name map.) (Residue 330: ACN, Nonterminal, was not found in name map.) (Residue 331: ACN, Nonterminal, was not found in name map.) (Residue 332: ACN, Nonterminal, was not found in name map.) (Residue 333: ACN, Nonterminal, was not found in name map.) (Residue 334: ACN, Nonterminal, was not found in name map.) (Residue 335: ACN, Nonterminal, was not found in name map.) (Residue 336: ACN, Nonterminal, was not found in name map.) (Residue 337: ACN, Nonterminal, was not found in name map.) (Residue 338: ACN, Nonterminal, was not found in name map.) (Residue 339: ACN, Nonterminal, was not found in name map.) (Residue 340: ACN, Nonterminal, was not found in name map.) (Residue 341: ACN, Nonterminal, was not found in name map.) (Residue 342: ACN, Nonterminal, was not found in name map.) (Residue 343: ACN, Nonterminal, was not found in name map.) (Residue 344: ACN, Nonterminal, was not found in name map.) (Residue 345: ACN, Nonterminal, was not found in name map.) (Residue 346: ACN, Nonterminal, was not found in name map.) (Residue 347: ACN, Nonterminal, was not found in name map.) (Residue 348: ACN, Nonterminal, was not found in name map.) (Residue 349: ACN, Nonterminal, was not found in name map.) (Residue 350: ACN, Nonterminal, was not found in name map.) (Residue 351: ACN, Nonterminal, was not found in name map.) (Residue 352: ACN, Nonterminal, was not found in name map.) (Residue 353: ACN, Nonterminal, was not found in name map.) (Residue 354: ACN, Nonterminal, was not found in name map.) (Residue 355: ACN, Nonterminal, was not found in name map.) (Residue 356: ACN, Nonterminal, was not found in name map.) (Residue 357: ACN, Terminal/last, was not found in name map.) Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN total atoms in file: 3984 > > loadamberparams frcmod.bf4 Loading parameters: ./frcmod.bf4 Reading force field modification type file (frcmod) Reading title: remark goes here (UNKNOWN ATOM TYPE: B) > > loadamberparams frcmod.bmi Loading parameters: ./frcmod.bmi Reading force field modification type file (frcmod) Reading title: remark goes here (UNKNOWN ATOM TYPE: DU) > > loadamberparams frcmod.acn Loading parameters: ./frcmod.acn Reading force field modification type file (frcmod) Reading title: remark goes here > > setbox ionicbox centers Box dimensions: 34.999000 35.000000 34.999000 > > saveAmberParm ionicbox ionicbox.prmtop ionicbox.inpcrd Checking Unit. ERROR: The unperturbed charge of the unit: 0.101898 is not integral. WARNING: The unperturbed charge of the unit: 0.101898 is not zero. -- ignoring the error and warning. Building topology. Building atom parameters. Building bond parameters. Building angle parameters. Building proper torsion parameters. 1-4: angle 523 528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 522 530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 522 528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 522 523 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 521 532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 521 530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 521 522 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 520 532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 520 521 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 548 553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 547 555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 547 553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 547 548 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 546 557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 546 555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 546 547 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 545 557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 545 546 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 573 578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 572 580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 572 578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 572 573 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 571 582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 571 580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 571 572 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 570 582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 570 571 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 598 603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 597 605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 597 603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 597 598 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 596 607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 596 605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 596 597 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 595 607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 595 596 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 623 628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 622 630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 622 628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 622 623 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 621 632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 621 630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 621 622 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 620 632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 620 621 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 648 653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 647 655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 647 653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 647 648 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 646 657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 646 655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 646 647 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 645 657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 645 646 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 673 678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 672 680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 672 678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 672 673 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 671 682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 671 680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 671 672 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 670 682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 670 671 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 698 703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 697 705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 697 703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 697 698 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 696 707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 696 705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 696 697 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 695 707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 695 696 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 723 728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 722 730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 722 728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 722 723 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 721 732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 721 730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 721 722 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 720 732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 720 721 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 748 753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 747 755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 747 753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 747 748 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 746 757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 746 755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 746 747 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 745 757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 745 746 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 773 778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 772 780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 772 778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 772 773 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 771 782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 771 780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 771 772 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 770 782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 770 771 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 798 803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 797 805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 797 803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 797 798 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 796 807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 796 805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 796 797 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 795 807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 795 796 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 823 828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 822 830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 822 828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 822 823 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 821 832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 821 830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 821 822 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 820 832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 820 821 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 848 853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 847 855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 847 853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 847 848 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 846 857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 846 855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 846 847 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 845 857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 845 846 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 873 878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 872 880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 872 878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 872 873 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 871 882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 871 880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 871 872 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 870 882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 870 871 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 898 903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 897 905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 897 903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 897 898 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 896 907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 896 905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 896 897 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 895 907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 895 896 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 923 928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 922 930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 922 928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 922 923 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 921 932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 921 930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 921 922 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 920 932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 920 921 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 948 953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 947 955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 947 953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 947 948 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 946 957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 946 955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 946 947 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 945 957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 945 946 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 973 978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 972 980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 972 978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 972 973 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 971 982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 971 980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 971 972 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 970 982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 970 971 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 998 1003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 997 1005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 997 1003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 997 998 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 996 1007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 996 1005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 996 997 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 995 1007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 995 996 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1023 1028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1022 1030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1022 1028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1022 1023 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1021 1032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1021 1030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1021 1022 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1020 1032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1020 1021 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1048 1053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1047 1055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1047 1053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1047 1048 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1046 1057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1046 1055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1046 1047 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1045 1057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1045 1046 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1073 1078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1072 1080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1072 1078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1072 1073 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1071 1082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1071 1080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1071 1072 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1070 1082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1070 1071 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1098 1103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1097 1105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1097 1103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1097 1098 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1096 1107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1096 1105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1096 1097 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1095 1107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1095 1096 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1123 1128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1122 1130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1122 1128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1122 1123 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1121 1132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1121 1130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1121 1122 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1120 1132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1120 1121 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1148 1153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1147 1155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1147 1153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1147 1148 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1146 1157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1146 1155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1146 1147 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1145 1157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1145 1146 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1173 1178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1172 1180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1172 1178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1172 1173 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1171 1182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1171 1180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1171 1172 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1170 1182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1170 1171 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1198 1203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1197 1205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1197 1203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1197 1198 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1196 1207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1196 1205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1196 1197 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1195 1207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1195 1196 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1223 1228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1222 1230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1222 1228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1222 1223 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1221 1232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1221 1230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1221 1222 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1220 1232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1220 1221 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1248 1253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1247 1255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1247 1253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1247 1248 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1246 1257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1246 1255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1246 1247 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1245 1257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1245 1246 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1273 1278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1272 1280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1272 1278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1272 1273 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1271 1282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1271 1280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1271 1272 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1270 1282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1270 1271 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1298 1303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1297 1305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1297 1303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1297 1298 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1296 1307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1296 1305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1296 1297 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1295 1307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1295 1296 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1323 1328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1322 1330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1322 1328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1322 1323 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1321 1332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1321 1330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1321 1322 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1320 1332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1320 1321 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1348 1353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1347 1355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1347 1353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1347 1348 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1346 1357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1346 1355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1346 1347 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1345 1357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1345 1346 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1373 1378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1372 1380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1372 1378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1372 1373 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1371 1382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1371 1380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1371 1372 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1370 1382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1370 1371 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1398 1403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1397 1405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1397 1403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1397 1398 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1396 1407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1396 1405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1396 1397 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1395 1407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1395 1396 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1423 1428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1422 1430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1422 1428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1422 1423 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1421 1432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1421 1430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1421 1422 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1420 1432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1420 1421 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1448 1453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1447 1455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1447 1453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1447 1448 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1446 1457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1446 1455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1446 1447 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1445 1457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1445 1446 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1473 1478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1472 1480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1472 1478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1472 1473 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1471 1482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1471 1480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1471 1472 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1470 1482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1470 1471 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1498 1503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1497 1505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1497 1503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1497 1498 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1496 1507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1496 1505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1496 1497 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1495 1507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1495 1496 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1523 1528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1522 1530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1522 1528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1522 1523 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1521 1532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1521 1530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1521 1522 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1520 1532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1520 1521 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1548 1553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1547 1555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1547 1553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1547 1548 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1546 1557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1546 1555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1546 1547 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1545 1557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1545 1546 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1573 1578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1572 1580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1572 1578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1572 1573 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1571 1582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1571 1580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1571 1572 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1570 1582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1570 1571 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1598 1603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1597 1605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1597 1603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1597 1598 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1596 1607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1596 1605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1596 1597 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1595 1607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1595 1596 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1623 1628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1622 1630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1622 1628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1622 1623 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1621 1632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1621 1630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1621 1622 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1620 1632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1620 1621 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1648 1653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1647 1655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1647 1653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1647 1648 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1646 1657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1646 1655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1646 1647 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1645 1657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1645 1646 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1673 1678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1672 1680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1672 1678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1672 1673 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1671 1682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1671 1680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1671 1672 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1670 1682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1670 1671 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1698 1703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1697 1705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1697 1703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1697 1698 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1696 1707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1696 1705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1696 1697 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1695 1707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1695 1696 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1723 1728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1722 1730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1722 1728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1722 1723 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1721 1732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1721 1730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1721 1722 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1720 1732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1720 1721 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1748 1753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1747 1755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1747 1753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1747 1748 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1746 1757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1746 1755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1746 1747 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1745 1757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1745 1746 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1773 1778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1772 1780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1772 1778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1772 1773 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1771 1782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1771 1780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1771 1772 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1770 1782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1770 1771 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1798 1803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1797 1805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1797 1803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1797 1798 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1796 1807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1796 1805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1796 1797 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1795 1807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1795 1796 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1823 1828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1822 1830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1822 1828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1822 1823 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1821 1832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1821 1830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1821 1822 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1820 1832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1820 1821 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1848 1853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1847 1855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1847 1853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1847 1848 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1846 1857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1846 1855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1846 1847 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1845 1857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1845 1846 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1873 1878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1872 1880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1872 1878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1872 1873 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1871 1882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1871 1880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1871 1872 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1870 1882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1870 1871 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1898 1903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1897 1905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1897 1903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1897 1898 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1896 1907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1896 1905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1896 1897 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1895 1907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1895 1896 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1923 1928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1922 1930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1922 1928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1922 1923 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1921 1932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1921 1930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1921 1922 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1920 1932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1920 1921 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1948 1953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1947 1955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1947 1953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1947 1948 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1946 1957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1946 1955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1946 1947 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1945 1957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1945 1946 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1973 1978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1972 1980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1972 1978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1972 1973 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1971 1982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1971 1980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1971 1972 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1970 1982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1970 1971 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1998 2003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1997 2005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1997 2003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1997 1998 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1996 2007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1996 2005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1996 1997 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1995 2007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1995 1996 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2023 2028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2022 2030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2022 2028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2022 2023 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2021 2032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2021 2030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2021 2022 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2020 2032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2020 2021 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2048 2053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2047 2055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2047 2053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2047 2048 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2046 2057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2046 2055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2046 2047 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2045 2057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2045 2046 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2073 2078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2072 2080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2072 2078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2072 2073 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2071 2082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2071 2080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2071 2072 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2070 2082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2070 2071 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2098 2103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2097 2105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2097 2103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2097 2098 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2096 2107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2096 2105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2096 2097 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2095 2107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2095 2096 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2123 2128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2122 2130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2122 2128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2122 2123 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2121 2132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2121 2130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2121 2122 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2120 2132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2120 2121 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2148 2153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2147 2155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2147 2153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2147 2148 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2146 2157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2146 2155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2146 2147 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2145 2157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2145 2146 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2173 2178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2172 2180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2172 2178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2172 2173 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2171 2182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2171 2180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2171 2172 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2170 2182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2170 2171 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2198 2203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2197 2205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2197 2203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2197 2198 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2196 2207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2196 2205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2196 2197 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2195 2207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2195 2196 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2223 2228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2222 2230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2222 2228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2222 2223 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2221 2232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2221 2230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2221 2222 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2220 2232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2220 2221 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2248 2253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2247 2255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2247 2253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2247 2248 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2246 2257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2246 2255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2246 2247 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2245 2257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2245 2246 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2273 2278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2272 2280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2272 2278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2272 2273 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2271 2282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2271 2280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2271 2272 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2270 2282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2270 2271 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2298 2303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2297 2305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2297 2303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2297 2298 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2296 2307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2296 2305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2296 2297 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2295 2307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2295 2296 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2323 2328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2322 2330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2322 2328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2322 2323 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2321 2332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2321 2330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2321 2322 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2320 2332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2320 2321 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2348 2353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2347 2355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2347 2353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2347 2348 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2346 2357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2346 2355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2346 2347 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2345 2357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2345 2346 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2373 2378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2372 2380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2372 2378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2372 2373 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2371 2382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2371 2380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2371 2372 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2370 2382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2370 2371 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2398 2403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2397 2405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2397 2403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2397 2398 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2396 2407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2396 2405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2396 2397 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2395 2407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2395 2396 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2423 2428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2422 2430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2422 2428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2422 2423 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2421 2432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2421 2430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2421 2422 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2420 2432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2420 2421 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2448 2453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2447 2455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2447 2453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2447 2448 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2446 2457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2446 2455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2446 2447 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2445 2457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2445 2446 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2473 2478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2472 2480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2472 2478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2472 2473 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2471 2482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2471 2480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2471 2472 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2470 2482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2470 2471 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2498 2503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2497 2505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2497 2503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2497 2498 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2496 2507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2496 2505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2496 2497 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2495 2507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2495 2496 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2523 2528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2522 2530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2522 2528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2522 2523 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2521 2532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2521 2530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2521 2522 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2520 2532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2520 2521 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2548 2553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2547 2555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2547 2553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2547 2548 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2546 2557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2546 2555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2546 2547 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2545 2557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2545 2546 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2573 2578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2572 2580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2572 2578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2572 2573 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2571 2582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2571 2580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2571 2572 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2570 2582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2570 2571 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2598 2603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2597 2605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2597 2603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2597 2598 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2596 2607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2596 2605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2596 2597 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2595 2607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2595 2596 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2623 2628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2622 2630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2622 2628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2622 2623 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2621 2632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2621 2630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2621 2622 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2620 2632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2620 2621 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2648 2653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2647 2655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2647 2653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2647 2648 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2646 2657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2646 2655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2646 2647 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2645 2657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2645 2646 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2673 2678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2672 2680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2672 2678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2672 2673 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2671 2682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2671 2680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2671 2672 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2670 2682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2670 2671 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2698 2703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2697 2705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2697 2703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2697 2698 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2696 2707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2696 2705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2696 2697 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2695 2707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2695 2696 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2723 2728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2722 2730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2722 2728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2722 2723 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2721 2732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2721 2730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2721 2722 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2720 2732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2720 2721 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2748 2753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2747 2755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2747 2753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2747 2748 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2746 2757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2746 2755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2746 2747 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2745 2757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2745 2746 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2773 2778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2772 2780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2772 2778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2772 2773 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2771 2782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2771 2780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2771 2772 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2770 2782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2770 2771 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2798 2803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2797 2805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2797 2803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2797 2798 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2796 2807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2796 2805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2796 2797 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2795 2807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2795 2796 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2823 2828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2822 2830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2822 2828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2822 2823 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2821 2832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2821 2830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2821 2822 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2820 2832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2820 2821 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2848 2853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2847 2855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2847 2853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2847 2848 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2846 2857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2846 2855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2846 2847 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2845 2857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2845 2846 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2873 2878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2872 2880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2872 2878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2872 2873 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2871 2882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2871 2880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2871 2872 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2870 2882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2870 2871 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2898 2903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2897 2905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2897 2903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2897 2898 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2896 2907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2896 2905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2896 2897 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2895 2907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2895 2896 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2923 2928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2922 2930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2922 2928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2922 2923 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2921 2932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2921 2930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2921 2922 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2920 2932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2920 2921 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2948 2953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2947 2955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2947 2953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2947 2948 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2946 2957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2946 2955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2946 2947 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2945 2957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2945 2946 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2973 2978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2972 2980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2972 2978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2972 2973 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2971 2982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2971 2980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2971 2972 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2970 2982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2970 2971 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2998 3003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2997 3005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2997 3003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2997 2998 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2996 3007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2996 3005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2996 2997 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2995 3007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2995 2996 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3023 3028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3022 3030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3022 3028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3022 3023 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3021 3032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3021 3030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3021 3022 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3020 3032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3020 3021 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3048 3053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3047 3055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3047 3053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3047 3048 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3046 3057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3046 3055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3046 3047 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3045 3057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3045 3046 duplicates bond ('triangular' bond) or angle ('square' bond) Building improper torsion parameters. total 510 improper torsions applied Building H-Bond parameters. Incorporating Non-Bonded adjustments. Not Marking per-residue atom chain types. Marking per-residue atom chain types. (Residues lacking connect0/connect1 - these don't have chain types marked: res total affected ACN 154 BF4 102 BMI 102 ) (no restraints) log started: Tue Mar 3 16:30:41 2015 Log file: ./leap.log >> # >> # ----- leaprc for loading the general Amber Force field. >> # This file is mostly for use with Antechamber >> # >> # load atom type hybridizations >> # >> addAtomTypes { >> { "h1" "H" "sp3" } >> { "h2" "H" "sp3" } >> { "h3" "H" "sp3" } >> { "h4" "H" "sp3" } >> { "h5" "H" "sp3" } >> { "ha" "H" "sp3" } >> { "hc" "H" "sp3" } >> { "hn" "H" "sp3" } >> { "ho" "H" "sp3" } >> { "hp" "H" "sp3" } >> { "hs" "H" "sp3" } >> { "hw" "H" "sp3" } >> { "hx" "H" "sp3" } >> { "o" "O" "sp2" } >> { "o2" "O" "sp2" } >> { "oh" "O" "sp3" } >> { "os" "O" "sp3" } >> { "ow" "O" "sp3" } >> { "c" "C" "sp2" } >> { "c1" "C" "sp2" } >> { "c2" "C" "sp2" } >> { "c3" "C" "sp3" } >> { "ca" "C" "sp2" } >> { "cc" "C" "sp2" } >> { "cd" "C" "sp2" } >> { "ce" "C" "sp2" } >> { "cf" "C" "sp2" } >> { "cg" "C" "sp2" } >> { "ch" "C" "sp2" } >> { "cp" "C" "sp2" } >> { "cq" "C" "sp2" } >> { "cu" "C" "sp2" } >> { "cv" "C" "sp2" } >> { "cx" "C" "sp2" } >> { "cy" "C" "sp2" } >> { "cz" "C" "sp2" } >> { "n" "N" "sp2" } >> { "n1" "N" "sp2" } >> { "n2" "N" "sp2" } >> { "n3" "N" "sp3" } >> { "n4" "N" "sp3" } >> { "na" "N" "sp2" } >> { "nb" "N" "sp2" } >> { "nc" "N" "sp2" } >> { "nd" "N" "sp2" } >> { "ne" "N" "sp2" } >> { "nf" "N" "sp2" } >> { "nh" "N" "sp2" } >> { "no" "N" "sp2" } >> { "s" "S" "sp2" } >> { "s2" "S" "sp2" } >> { "s3" "S" "sp3" } >> { "s4" "S" "sp3" } >> { "s6" "S" "sp3" } >> { "sh" "S" "sp3" } >> { "ss" "S" "sp3" } >> { "sx" "S" "sp3" } >> { "sy" "S" "sp3" } >> { "p2" "P" "sp2" } >> { "p3" "P" "sp3" } >> { "p4" "P" "sp3" } >> { "p5" "P" "sp3" } >> { "pb" "P" "sp3" } >> { "pc" "P" "sp3" } >> { "pd" "P" "sp3" } >> { "pe" "P" "sp3" } >> { "pf" "P" "sp3" } >> { "px" "P" "sp3" } >> { "py" "P" "sp3" } >> { "f" "F" "sp3" } >> { "cl" "Cl" "sp3" } >> { "br" "Br" "sp3" } >> { "i" "I" "sp3" } >> } >> # >> # Load the general force field parameter set. >> # >> gaff = loadamberparams gaff.dat Loading parameters: /home/farm/amber12/dat/leap/parm/gaff.dat Reading title: AMBER General Force Field for organic molecules (Version 1.5, January 2013) > > > BMI = loadmol2 bmi.mol2 Loading Mol2 file: ./bmi.mol2 Reading MOLECULE named BMI > > BF4 = loadmol2 bf4.mol2 Loading Mol2 file: ./bf4.mol2 Reading MOLECULE named BF4 > > ACN = loadmol2 acn.mol2 Loading Mol2 file: ./acn.mol2 Reading MOLECULE named ACN > > ionicbox = loadPdb ionicbox.pdb Loading PDB file: ./ionicbox.pdb Enter zPdbReadScan from call depth 0. (starting new molecule for chain B) (starting new molecule for chain C) Exit zPdbReadScan from call depth 0. Matching PDB residue names to LEaP variables. (Residue 0: BF4, Terminal/beginning, was not found in name map.) (Residue 1: BF4, Nonterminal, was not found in name map.) (Residue 2: BF4, Nonterminal, was not found in name map.) (Residue 3: BF4, Nonterminal, was not found in name map.) (Residue 4: BF4, Nonterminal, was not found in name map.) (Residue 5: BF4, Nonterminal, was not found in name map.) (Residue 6: BF4, Nonterminal, was not found in name map.) (Residue 7: BF4, Nonterminal, was not found in name map.) (Residue 8: BF4, Nonterminal, was not found in name map.) (Residue 9: BF4, Nonterminal, was not found in name map.) (Residue 10: BF4, Nonterminal, was not found in name map.) (Residue 11: BF4, Nonterminal, was not found in name map.) (Residue 12: BF4, Nonterminal, was not found in name map.) (Residue 13: BF4, Nonterminal, was not found in name map.) (Residue 14: BF4, Nonterminal, was not found in name map.) (Residue 15: BF4, Nonterminal, was not found in name map.) (Residue 16: BF4, Nonterminal, was not found in name map.) (Residue 17: BF4, Nonterminal, was not found in name map.) (Residue 18: BF4, Nonterminal, was not found in name map.) (Residue 19: BF4, Nonterminal, was not found in name map.) (Residue 20: BF4, Nonterminal, was not found in name map.) (Residue 21: BF4, Nonterminal, was not found in name map.) (Residue 22: BF4, Nonterminal, was not found in name map.) (Residue 23: BF4, Nonterminal, was not found in name map.) (Residue 24: BF4, Nonterminal, was not found in name map.) (Residue 25: BF4, Nonterminal, was not found in name map.) (Residue 26: BF4, Nonterminal, was not found in name map.) (Residue 27: BF4, Nonterminal, was not found in name map.) (Residue 28: BF4, Nonterminal, was not found in name map.) (Residue 29: BF4, Nonterminal, was not found in name map.) (Residue 30: BF4, Nonterminal, was not found in name map.) (Residue 31: BF4, Nonterminal, was not found in name map.) (Residue 32: BF4, Nonterminal, was not found in name map.) (Residue 33: BF4, Nonterminal, was not found in name map.) (Residue 34: BF4, Nonterminal, was not found in name map.) (Residue 35: BF4, Nonterminal, was not found in name map.) (Residue 36: BF4, Nonterminal, was not found in name map.) (Residue 37: BF4, Nonterminal, was not found in name map.) (Residue 38: BF4, Nonterminal, was not found in name map.) (Residue 39: BF4, Nonterminal, was not found in name map.) (Residue 40: BF4, Nonterminal, was not found in name map.) (Residue 41: BF4, Nonterminal, was not found in name map.) (Residue 42: BF4, Nonterminal, was not found in name map.) (Residue 43: BF4, Nonterminal, was not found in name map.) (Residue 44: BF4, Nonterminal, was not found in name map.) (Residue 45: BF4, Nonterminal, was not found in name map.) (Residue 46: BF4, Nonterminal, was not found in name map.) (Residue 47: BF4, Nonterminal, was not found in name map.) (Residue 48: BF4, Nonterminal, was not found in name map.) (Residue 49: BF4, Nonterminal, was not found in name map.) (Residue 50: BF4, Nonterminal, was not found in name map.) (Residue 51: BF4, Nonterminal, was not found in name map.) (Residue 52: BF4, Nonterminal, was not found in name map.) (Residue 53: BF4, Nonterminal, was not found in name map.) (Residue 54: BF4, Nonterminal, was not found in name map.) (Residue 55: BF4, Nonterminal, was not found in name map.) (Residue 56: BF4, Nonterminal, was not found in name map.) (Residue 57: BF4, Nonterminal, was not found in name map.) (Residue 58: BF4, Nonterminal, was not found in name map.) (Residue 59: BF4, Nonterminal, was not found in name map.) (Residue 60: BF4, Nonterminal, was not found in name map.) (Residue 61: BF4, Nonterminal, was not found in name map.) (Residue 62: BF4, Nonterminal, was not found in name map.) (Residue 63: BF4, Nonterminal, was not found in name map.) (Residue 64: BF4, Nonterminal, was not found in name map.) (Residue 65: BF4, Nonterminal, was not found in name map.) (Residue 66: BF4, Nonterminal, was not found in name map.) (Residue 67: BF4, Nonterminal, was not found in name map.) (Residue 68: BF4, Nonterminal, was not found in name map.) (Residue 69: BF4, Nonterminal, was not found in name map.) (Residue 70: BF4, Nonterminal, was not found in name map.) (Residue 71: BF4, Nonterminal, was not found in name map.) (Residue 72: BF4, Nonterminal, was not found in name map.) (Residue 73: BF4, Nonterminal, was not found in name map.) (Residue 74: BF4, Nonterminal, was not found in name map.) (Residue 75: BF4, Nonterminal, was not found in name map.) (Residue 76: BF4, Nonterminal, was not found in name map.) (Residue 77: BF4, Nonterminal, was not found in name map.) (Residue 78: BF4, Nonterminal, was not found in name map.) (Residue 79: BF4, Nonterminal, was not found in name map.) (Residue 80: BF4, Nonterminal, was not found in name map.) (Residue 81: BF4, Nonterminal, was not found in name map.) (Residue 82: BF4, Nonterminal, was not found in name map.) (Residue 83: BF4, Nonterminal, was not found in name map.) (Residue 84: BF4, Nonterminal, was not found in name map.) (Residue 85: BF4, Nonterminal, was not found in name map.) (Residue 86: BF4, Nonterminal, was not found in name map.) (Residue 87: BF4, Nonterminal, was not found in name map.) (Residue 88: BF4, Nonterminal, was not found in name map.) (Residue 89: BF4, Nonterminal, was not found in name map.) (Residue 90: BF4, Nonterminal, was not found in name map.) (Residue 91: BF4, Nonterminal, was not found in name map.) (Residue 92: BF4, Nonterminal, was not found in name map.) (Residue 93: BF4, Nonterminal, was not found in name map.) (Residue 94: BF4, Nonterminal, was not found in name map.) (Residue 95: BF4, Nonterminal, was not found in name map.) (Residue 96: BF4, Nonterminal, was not found in name map.) (Residue 97: BF4, Nonterminal, was not found in name map.) (Residue 98: BF4, Nonterminal, was not found in name map.) (Residue 99: BF4, Nonterminal, was not found in name map.) (Residue 100: BF4, Nonterminal, was not found in name map.) (Residue 101: BF4, Terminal/last, was not found in name map.) (Residue 102: BMI, Terminal/beginning, was not found in name map.) (Residue 103: BMI, Nonterminal, was not found in name map.) (Residue 104: BMI, Nonterminal, was not found in name map.) (Residue 105: BMI, Nonterminal, was not found in name map.) (Residue 106: BMI, Nonterminal, was not found in name map.) (Residue 107: BMI, Nonterminal, was not found in name map.) (Residue 108: BMI, Nonterminal, was not found in name map.) (Residue 109: BMI, Nonterminal, was not found in name map.) (Residue 110: BMI, Nonterminal, was not found in name map.) (Residue 111: BMI, Nonterminal, was not found in name map.) (Residue 112: BMI, Nonterminal, was not found in name map.) (Residue 113: BMI, Nonterminal, was not found in name map.) (Residue 114: BMI, Nonterminal, was not found in name map.) (Residue 115: BMI, Nonterminal, was not found in name map.) (Residue 116: BMI, Nonterminal, was not found in name map.) (Residue 117: BMI, Nonterminal, was not found in name map.) (Residue 118: BMI, Nonterminal, was not found in name map.) (Residue 119: BMI, Nonterminal, was not found in name map.) (Residue 120: BMI, Nonterminal, was not found in name map.) (Residue 121: BMI, Nonterminal, was not found in name map.) (Residue 122: BMI, Nonterminal, was not found in name map.) (Residue 123: BMI, Nonterminal, was not found in name map.) (Residue 124: BMI, Nonterminal, was not found in name map.) (Residue 125: BMI, Nonterminal, was not found in name map.) (Residue 126: BMI, Nonterminal, was not found in name map.) (Residue 127: BMI, Nonterminal, was not found in name map.) (Residue 128: BMI, Nonterminal, was not found in name map.) (Residue 129: BMI, Nonterminal, was not found in name map.) (Residue 130: BMI, Nonterminal, was not found in name map.) (Residue 131: BMI, Nonterminal, was not found in name map.) (Residue 132: BMI, Nonterminal, was not found in name map.) (Residue 133: BMI, Nonterminal, was not found in name map.) (Residue 134: BMI, Nonterminal, was not found in name map.) (Residue 135: BMI, Nonterminal, was not found in name map.) (Residue 136: BMI, Nonterminal, was not found in name map.) (Residue 137: BMI, Nonterminal, was not found in name map.) (Residue 138: BMI, Nonterminal, was not found in name map.) (Residue 139: BMI, Nonterminal, was not found in name map.) (Residue 140: BMI, Nonterminal, was not found in name map.) (Residue 141: BMI, Nonterminal, was not found in name map.) (Residue 142: BMI, Nonterminal, was not found in name map.) (Residue 143: BMI, Nonterminal, was not found in name map.) (Residue 144: BMI, Nonterminal, was not found in name map.) (Residue 145: BMI, Nonterminal, was not found in name map.) (Residue 146: BMI, Nonterminal, was not found in name map.) (Residue 147: BMI, Nonterminal, was not found in name map.) (Residue 148: BMI, Nonterminal, was not found in name map.) (Residue 149: BMI, Nonterminal, was not found in name map.) (Residue 150: BMI, Nonterminal, was not found in name map.) (Residue 151: BMI, Nonterminal, was not found in name map.) (Residue 152: BMI, Nonterminal, was not found in name map.) (Residue 153: BMI, Nonterminal, was not found in name map.) (Residue 154: BMI, Nonterminal, was not found in name map.) (Residue 155: BMI, Nonterminal, was not found in name map.) (Residue 156: BMI, Nonterminal, was not found in name map.) (Residue 157: BMI, Nonterminal, was not found in name map.) (Residue 158: BMI, Nonterminal, was not found in name map.) (Residue 159: BMI, Nonterminal, was not found in name map.) (Residue 160: BMI, Nonterminal, was not found in name map.) (Residue 161: BMI, Nonterminal, was not found in name map.) (Residue 162: BMI, Nonterminal, was not found in name map.) (Residue 163: BMI, Nonterminal, was not found in name map.) (Residue 164: BMI, Nonterminal, was not found in name map.) (Residue 165: BMI, Nonterminal, was not found in name map.) (Residue 166: BMI, Nonterminal, was not found in name map.) (Residue 167: BMI, Nonterminal, was not found in name map.) (Residue 168: BMI, Nonterminal, was not found in name map.) (Residue 169: BMI, Nonterminal, was not found in name map.) (Residue 170: BMI, Nonterminal, was not found in name map.) (Residue 171: BMI, Nonterminal, was not found in name map.) (Residue 172: BMI, Nonterminal, was not found in name map.) (Residue 173: BMI, Nonterminal, was not found in name map.) (Residue 174: BMI, Nonterminal, was not found in name map.) (Residue 175: BMI, Nonterminal, was not found in name map.) (Residue 176: BMI, Nonterminal, was not found in name map.) (Residue 177: BMI, Nonterminal, was not found in name map.) (Residue 178: BMI, Nonterminal, was not found in name map.) (Residue 179: BMI, Nonterminal, was not found in name map.) (Residue 180: BMI, Nonterminal, was not found in name map.) (Residue 181: BMI, Nonterminal, was not found in name map.) (Residue 182: BMI, Nonterminal, was not found in name map.) (Residue 183: BMI, Nonterminal, was not found in name map.) (Residue 184: BMI, Nonterminal, was not found in name map.) (Residue 185: BMI, Nonterminal, was not found in name map.) (Residue 186: BMI, Nonterminal, was not found in name map.) (Residue 187: BMI, Nonterminal, was not found in name map.) (Residue 188: BMI, Nonterminal, was not found in name map.) (Residue 189: BMI, Nonterminal, was not found in name map.) (Residue 190: BMI, Nonterminal, was not found in name map.) (Residue 191: BMI, Nonterminal, was not found in name map.) (Residue 192: BMI, Nonterminal, was not found in name map.) (Residue 193: BMI, Nonterminal, was not found in name map.) (Residue 194: BMI, Nonterminal, was not found in name map.) (Residue 195: BMI, Nonterminal, was not found in name map.) (Residue 196: BMI, Nonterminal, was not found in name map.) (Residue 197: BMI, Nonterminal, was not found in name map.) (Residue 198: BMI, Nonterminal, was not found in name map.) (Residue 199: BMI, Nonterminal, was not found in name map.) (Residue 200: BMI, Nonterminal, was not found in name map.) (Residue 201: BMI, Nonterminal, was not found in name map.) (Residue 202: BMI, Nonterminal, was not found in name map.) (Residue 203: BMI, Terminal/last, was not found in name map.) (Residue 204: ACN, Terminal/beginning, was not found in name map.) (Residue 205: ACN, Nonterminal, was not found in name map.) (Residue 206: ACN, Nonterminal, was not found in name map.) (Residue 207: ACN, Nonterminal, was not found in name map.) (Residue 208: ACN, Nonterminal, was not found in name map.) (Residue 209: ACN, Nonterminal, was not found in name map.) (Residue 210: ACN, Nonterminal, was not found in name map.) (Residue 211: ACN, Nonterminal, was not found in name map.) (Residue 212: ACN, Nonterminal, was not found in name map.) (Residue 213: ACN, Nonterminal, was not found in name map.) (Residue 214: ACN, Nonterminal, was not found in name map.) (Residue 215: ACN, Nonterminal, was not found in name map.) (Residue 216: ACN, Nonterminal, was not found in name map.) (Residue 217: ACN, Nonterminal, was not found in name map.) (Residue 218: ACN, Nonterminal, was not found in name map.) (Residue 219: ACN, Nonterminal, was not found in name map.) (Residue 220: ACN, Nonterminal, was not found in name map.) (Residue 221: ACN, Nonterminal, was not found in name map.) (Residue 222: ACN, Nonterminal, was not found in name map.) (Residue 223: ACN, Nonterminal, was not found in name map.) (Residue 224: ACN, Nonterminal, was not found in name map.) (Residue 225: ACN, Nonterminal, was not found in name map.) (Residue 226: ACN, Nonterminal, was not found in name map.) (Residue 227: ACN, Nonterminal, was not found in name map.) (Residue 228: ACN, Nonterminal, was not found in name map.) (Residue 229: ACN, Nonterminal, was not found in name map.) (Residue 230: ACN, Nonterminal, was not found in name map.) (Residue 231: ACN, Nonterminal, was not found in name map.) (Residue 232: ACN, Nonterminal, was not found in name map.) (Residue 233: ACN, Nonterminal, was not found in name map.) (Residue 234: ACN, Nonterminal, was not found in name map.) (Residue 235: ACN, Nonterminal, was not found in name map.) (Residue 236: ACN, Nonterminal, was not found in name map.) (Residue 237: ACN, Nonterminal, was not found in name map.) (Residue 238: ACN, Nonterminal, was not found in name map.) (Residue 239: ACN, Nonterminal, was not found in name map.) (Residue 240: ACN, Nonterminal, was not found in name map.) (Residue 241: ACN, Nonterminal, was not found in name map.) (Residue 242: ACN, Nonterminal, was not found in name map.) (Residue 243: ACN, Nonterminal, was not found in name map.) (Residue 244: ACN, Nonterminal, was not found in name map.) (Residue 245: ACN, Nonterminal, was not found in name map.) (Residue 246: ACN, Nonterminal, was not found in name map.) (Residue 247: ACN, Nonterminal, was not found in name map.) (Residue 248: ACN, Nonterminal, was not found in name map.) (Residue 249: ACN, Nonterminal, was not found in name map.) (Residue 250: ACN, Nonterminal, was not found in name map.) (Residue 251: ACN, Nonterminal, was not found in name map.) (Residue 252: ACN, Nonterminal, was not found in name map.) (Residue 253: ACN, Nonterminal, was not found in name map.) (Residue 254: ACN, Nonterminal, was not found in name map.) (Residue 255: ACN, Nonterminal, was not found in name map.) (Residue 256: ACN, Nonterminal, was not found in name map.) (Residue 257: ACN, Nonterminal, was not found in name map.) (Residue 258: ACN, Nonterminal, was not found in name map.) (Residue 259: ACN, Nonterminal, was not found in name map.) (Residue 260: ACN, Nonterminal, was not found in name map.) (Residue 261: ACN, Nonterminal, was not found in name map.) (Residue 262: ACN, Nonterminal, was not found in name map.) (Residue 263: ACN, Nonterminal, was not found in name map.) (Residue 264: ACN, Nonterminal, was not found in name map.) (Residue 265: ACN, Nonterminal, was not found in name map.) (Residue 266: ACN, Nonterminal, was not found in name map.) (Residue 267: ACN, Nonterminal, was not found in name map.) (Residue 268: ACN, Nonterminal, was not found in name map.) (Residue 269: ACN, Nonterminal, was not found in name map.) (Residue 270: ACN, Nonterminal, was not found in name map.) (Residue 271: ACN, Nonterminal, was not found in name map.) (Residue 272: ACN, Nonterminal, was not found in name map.) (Residue 273: ACN, Nonterminal, was not found in name map.) (Residue 274: ACN, Nonterminal, was not found in name map.) (Residue 275: ACN, Nonterminal, was not found in name map.) (Residue 276: ACN, Nonterminal, was not found in name map.) (Residue 277: ACN, Nonterminal, was not found in name map.) (Residue 278: ACN, Nonterminal, was not found in name map.) (Residue 279: ACN, Nonterminal, was not found in name map.) (Residue 280: ACN, Nonterminal, was not found in name map.) (Residue 281: ACN, Nonterminal, was not found in name map.) (Residue 282: ACN, Nonterminal, was not found in name map.) (Residue 283: ACN, Nonterminal, was not found in name map.) (Residue 284: ACN, Nonterminal, was not found in name map.) (Residue 285: ACN, Nonterminal, was not found in name map.) (Residue 286: ACN, Nonterminal, was not found in name map.) (Residue 287: ACN, Nonterminal, was not found in name map.) (Residue 288: ACN, Nonterminal, was not found in name map.) (Residue 289: ACN, Nonterminal, was not found in name map.) (Residue 290: ACN, Nonterminal, was not found in name map.) (Residue 291: ACN, Nonterminal, was not found in name map.) (Residue 292: ACN, Nonterminal, was not found in name map.) (Residue 293: ACN, Nonterminal, was not found in name map.) (Residue 294: ACN, Nonterminal, was not found in name map.) (Residue 295: ACN, Nonterminal, was not found in name map.) (Residue 296: ACN, Nonterminal, was not found in name map.) (Residue 297: ACN, Nonterminal, was not found in name map.) (Residue 298: ACN, Nonterminal, was not found in name map.) (Residue 299: ACN, Nonterminal, was not found in name map.) (Residue 300: ACN, Nonterminal, was not found in name map.) (Residue 301: ACN, Nonterminal, was not found in name map.) (Residue 302: ACN, Nonterminal, was not found in name map.) (Residue 303: ACN, Nonterminal, was not found in name map.) (Residue 304: ACN, Nonterminal, was not found in name map.) (Residue 305: ACN, Nonterminal, was not found in name map.) (Residue 306: ACN, Nonterminal, was not found in name map.) (Residue 307: ACN, Nonterminal, was not found in name map.) (Residue 308: ACN, Nonterminal, was not found in name map.) (Residue 309: ACN, Nonterminal, was not found in name map.) (Residue 310: ACN, Nonterminal, was not found in name map.) (Residue 311: ACN, Nonterminal, was not found in name map.) (Residue 312: ACN, Nonterminal, was not found in name map.) (Residue 313: ACN, Nonterminal, was not found in name map.) (Residue 314: ACN, Nonterminal, was not found in name map.) (Residue 315: ACN, Nonterminal, was not found in name map.) (Residue 316: ACN, Nonterminal, was not found in name map.) (Residue 317: ACN, Nonterminal, was not found in name map.) (Residue 318: ACN, Nonterminal, was not found in name map.) (Residue 319: ACN, Nonterminal, was not found in name map.) (Residue 320: ACN, Nonterminal, was not found in name map.) (Residue 321: ACN, Nonterminal, was not found in name map.) (Residue 322: ACN, Nonterminal, was not found in name map.) (Residue 323: ACN, Nonterminal, was not found in name map.) (Residue 324: ACN, Nonterminal, was not found in name map.) (Residue 325: ACN, Nonterminal, was not found in name map.) (Residue 326: ACN, Nonterminal, was not found in name map.) (Residue 327: ACN, Nonterminal, was not found in name map.) (Residue 328: ACN, Nonterminal, was not found in name map.) (Residue 329: ACN, Nonterminal, was not found in name map.) (Residue 330: ACN, Nonterminal, was not found in name map.) (Residue 331: ACN, Nonterminal, was not found in name map.) (Residue 332: ACN, Nonterminal, was not found in name map.) (Residue 333: ACN, Nonterminal, was not found in name map.) (Residue 334: ACN, Nonterminal, was not found in name map.) (Residue 335: ACN, Nonterminal, was not found in name map.) (Residue 336: ACN, Nonterminal, was not found in name map.) (Residue 337: ACN, Nonterminal, was not found in name map.) (Residue 338: ACN, Nonterminal, was not found in name map.) (Residue 339: ACN, Nonterminal, was not found in name map.) (Residue 340: ACN, Nonterminal, was not found in name map.) (Residue 341: ACN, Nonterminal, was not found in name map.) (Residue 342: ACN, Nonterminal, was not found in name map.) (Residue 343: ACN, Nonterminal, was not found in name map.) (Residue 344: ACN, Nonterminal, was not found in name map.) (Residue 345: ACN, Nonterminal, was not found in name map.) (Residue 346: ACN, Nonterminal, was not found in name map.) (Residue 347: ACN, Nonterminal, was not found in name map.) (Residue 348: ACN, Nonterminal, was not found in name map.) (Residue 349: ACN, Nonterminal, was not found in name map.) (Residue 350: ACN, Nonterminal, was not found in name map.) (Residue 351: ACN, Nonterminal, was not found in name map.) (Residue 352: ACN, Nonterminal, was not found in name map.) (Residue 353: ACN, Nonterminal, was not found in name map.) (Residue 354: ACN, Nonterminal, was not found in name map.) (Residue 355: ACN, Nonterminal, was not found in name map.) (Residue 356: ACN, Nonterminal, was not found in name map.) (Residue 357: ACN, Terminal/last, was not found in name map.) Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN total atoms in file: 3984 > > loadamberparams frcmod.bf4 Loading parameters: ./frcmod.bf4 Reading force field modification type file (frcmod) Reading title: remark goes here (UNKNOWN ATOM TYPE: B) > > loadamberparams frcmod.bmi Loading parameters: ./frcmod.bmi Reading force field modification type file (frcmod) Reading title: remark goes here (UNKNOWN ATOM TYPE: DU) > > loadamberparams frcmod.acn Loading parameters: ./frcmod.acn Reading force field modification type file (frcmod) Reading title: remark goes here > > setbox ionicbox centers Box dimensions: 34.999000 35.000000 34.999000 > > saveAmberParm ionicbox ionicbox.prmtop ionicbox.inpcrd Checking Unit. ERROR: The unperturbed charge of the unit: 0.101898 is not integral. WARNING: The unperturbed charge of the unit: 0.101898 is not zero. -- ignoring the error and warning. Building topology. Building atom parameters. Building bond parameters. Building angle parameters. Building proper torsion parameters. 1-4: angle 523 528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 522 530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 522 528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 522 523 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 521 532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 521 530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 521 522 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 520 532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 520 521 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 548 553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 547 555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 547 553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 547 548 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 546 557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 546 555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 546 547 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 545 557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 545 546 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 573 578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 572 580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 572 578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 572 573 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 571 582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 571 580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 571 572 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 570 582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 570 571 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 598 603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 597 605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 597 603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 597 598 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 596 607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 596 605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 596 597 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 595 607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 595 596 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 623 628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 622 630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 622 628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 622 623 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 621 632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 621 630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 621 622 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 620 632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 620 621 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 648 653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 647 655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 647 653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 647 648 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 646 657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 646 655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 646 647 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 645 657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 645 646 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 673 678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 672 680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 672 678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 672 673 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 671 682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 671 680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 671 672 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 670 682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 670 671 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 698 703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 697 705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 697 703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 697 698 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 696 707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 696 705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 696 697 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 695 707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 695 696 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 723 728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 722 730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 722 728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 722 723 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 721 732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 721 730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 721 722 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 720 732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 720 721 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 748 753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 747 755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 747 753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 747 748 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 746 757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 746 755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 746 747 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 745 757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 745 746 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 773 778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 772 780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 772 778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 772 773 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 771 782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 771 780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 771 772 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 770 782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 770 771 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 798 803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 797 805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 797 803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 797 798 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 796 807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 796 805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 796 797 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 795 807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 795 796 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 823 828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 822 830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 822 828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 822 823 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 821 832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 821 830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 821 822 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 820 832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 820 821 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 848 853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 847 855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 847 853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 847 848 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 846 857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 846 855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 846 847 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 845 857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 845 846 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 873 878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 872 880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 872 878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 872 873 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 871 882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 871 880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 871 872 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 870 882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 870 871 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 898 903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 897 905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 897 903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 897 898 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 896 907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 896 905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 896 897 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 895 907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 895 896 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 923 928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 922 930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 922 928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 922 923 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 921 932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 921 930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 921 922 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 920 932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 920 921 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 948 953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 947 955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 947 953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 947 948 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 946 957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 946 955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 946 947 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 945 957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 945 946 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 973 978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 972 980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 972 978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 972 973 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 971 982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 971 980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 971 972 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 970 982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 970 971 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 998 1003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 997 1005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 997 1003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 997 998 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 996 1007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 996 1005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 996 997 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 995 1007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 995 996 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1023 1028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1022 1030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1022 1028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1022 1023 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1021 1032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1021 1030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1021 1022 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1020 1032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1020 1021 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1048 1053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1047 1055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1047 1053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1047 1048 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1046 1057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1046 1055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1046 1047 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1045 1057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1045 1046 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1073 1078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1072 1080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1072 1078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1072 1073 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1071 1082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1071 1080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1071 1072 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1070 1082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1070 1071 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1098 1103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1097 1105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1097 1103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1097 1098 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1096 1107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1096 1105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1096 1097 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1095 1107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1095 1096 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1123 1128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1122 1130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1122 1128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1122 1123 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1121 1132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1121 1130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1121 1122 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1120 1132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1120 1121 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1148 1153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1147 1155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1147 1153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1147 1148 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1146 1157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1146 1155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1146 1147 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1145 1157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1145 1146 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1173 1178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1172 1180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1172 1178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1172 1173 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1171 1182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1171 1180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1171 1172 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1170 1182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1170 1171 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1198 1203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1197 1205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1197 1203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1197 1198 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1196 1207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1196 1205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1196 1197 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1195 1207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1195 1196 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1223 1228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1222 1230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1222 1228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1222 1223 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1221 1232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1221 1230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1221 1222 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1220 1232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1220 1221 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1248 1253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1247 1255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1247 1253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1247 1248 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1246 1257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1246 1255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1246 1247 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1245 1257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1245 1246 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1273 1278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1272 1280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1272 1278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1272 1273 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1271 1282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1271 1280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1271 1272 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1270 1282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1270 1271 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1298 1303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1297 1305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1297 1303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1297 1298 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1296 1307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1296 1305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1296 1297 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1295 1307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1295 1296 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1323 1328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1322 1330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1322 1328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1322 1323 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1321 1332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1321 1330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1321 1322 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1320 1332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1320 1321 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1348 1353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1347 1355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1347 1353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1347 1348 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1346 1357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1346 1355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1346 1347 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1345 1357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1345 1346 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1373 1378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1372 1380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1372 1378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1372 1373 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1371 1382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1371 1380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1371 1372 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1370 1382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1370 1371 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1398 1403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1397 1405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1397 1403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1397 1398 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1396 1407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1396 1405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1396 1397 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1395 1407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1395 1396 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1423 1428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1422 1430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1422 1428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1422 1423 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1421 1432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1421 1430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1421 1422 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1420 1432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1420 1421 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1448 1453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1447 1455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1447 1453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1447 1448 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1446 1457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1446 1455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1446 1447 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1445 1457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1445 1446 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1473 1478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1472 1480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1472 1478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1472 1473 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1471 1482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1471 1480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1471 1472 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1470 1482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1470 1471 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1498 1503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1497 1505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1497 1503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1497 1498 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1496 1507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1496 1505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1496 1497 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1495 1507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1495 1496 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1523 1528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1522 1530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1522 1528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1522 1523 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1521 1532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1521 1530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1521 1522 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1520 1532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1520 1521 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1548 1553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1547 1555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1547 1553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1547 1548 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1546 1557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1546 1555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1546 1547 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1545 1557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1545 1546 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1573 1578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1572 1580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1572 1578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1572 1573 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1571 1582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1571 1580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1571 1572 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1570 1582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1570 1571 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1598 1603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1597 1605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1597 1603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1597 1598 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1596 1607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1596 1605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1596 1597 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1595 1607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1595 1596 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1623 1628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1622 1630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1622 1628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1622 1623 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1621 1632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1621 1630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1621 1622 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1620 1632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1620 1621 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1648 1653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1647 1655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1647 1653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1647 1648 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1646 1657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1646 1655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1646 1647 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1645 1657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1645 1646 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1673 1678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1672 1680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1672 1678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1672 1673 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1671 1682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1671 1680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1671 1672 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1670 1682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1670 1671 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1698 1703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1697 1705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1697 1703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1697 1698 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1696 1707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1696 1705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1696 1697 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1695 1707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1695 1696 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1723 1728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1722 1730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1722 1728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1722 1723 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1721 1732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1721 1730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1721 1722 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1720 1732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1720 1721 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1748 1753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1747 1755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1747 1753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1747 1748 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1746 1757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1746 1755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1746 1747 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1745 1757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1745 1746 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1773 1778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1772 1780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1772 1778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1772 1773 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1771 1782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1771 1780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1771 1772 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1770 1782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1770 1771 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1798 1803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1797 1805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1797 1803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1797 1798 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1796 1807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1796 1805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1796 1797 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1795 1807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1795 1796 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1823 1828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1822 1830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1822 1828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1822 1823 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1821 1832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1821 1830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1821 1822 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1820 1832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1820 1821 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1848 1853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1847 1855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1847 1853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1847 1848 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1846 1857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1846 1855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1846 1847 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1845 1857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1845 1846 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1873 1878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1872 1880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1872 1878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1872 1873 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1871 1882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1871 1880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1871 1872 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1870 1882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1870 1871 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1898 1903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1897 1905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1897 1903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1897 1898 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1896 1907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1896 1905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1896 1897 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1895 1907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1895 1896 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1923 1928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1922 1930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1922 1928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1922 1923 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1921 1932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1921 1930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1921 1922 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1920 1932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1920 1921 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1948 1953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1947 1955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1947 1953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1947 1948 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1946 1957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1946 1955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1946 1947 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1945 1957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1945 1946 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1973 1978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1972 1980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1972 1978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1972 1973 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1971 1982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1971 1980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1971 1972 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1970 1982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1970 1971 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1998 2003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1997 2005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1997 2003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1997 1998 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1996 2007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1996 2005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1996 1997 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1995 2007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1995 1996 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2023 2028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2022 2030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2022 2028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2022 2023 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2021 2032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2021 2030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2021 2022 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2020 2032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2020 2021 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2048 2053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2047 2055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2047 2053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2047 2048 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2046 2057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2046 2055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2046 2047 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2045 2057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2045 2046 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2073 2078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2072 2080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2072 2078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2072 2073 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2071 2082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2071 2080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2071 2072 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2070 2082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2070 2071 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2098 2103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2097 2105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2097 2103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2097 2098 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2096 2107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2096 2105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2096 2097 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2095 2107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2095 2096 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2123 2128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2122 2130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2122 2128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2122 2123 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2121 2132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2121 2130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2121 2122 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2120 2132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2120 2121 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2148 2153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2147 2155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2147 2153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2147 2148 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2146 2157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2146 2155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2146 2147 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2145 2157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2145 2146 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2173 2178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2172 2180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2172 2178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2172 2173 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2171 2182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2171 2180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2171 2172 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2170 2182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2170 2171 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2198 2203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2197 2205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2197 2203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2197 2198 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2196 2207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2196 2205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2196 2197 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2195 2207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2195 2196 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2223 2228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2222 2230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2222 2228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2222 2223 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2221 2232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2221 2230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2221 2222 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2220 2232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2220 2221 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2248 2253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2247 2255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2247 2253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2247 2248 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2246 2257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2246 2255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2246 2247 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2245 2257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2245 2246 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2273 2278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2272 2280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2272 2278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2272 2273 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2271 2282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2271 2280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2271 2272 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2270 2282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2270 2271 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2298 2303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2297 2305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2297 2303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2297 2298 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2296 2307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2296 2305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2296 2297 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2295 2307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2295 2296 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2323 2328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2322 2330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2322 2328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2322 2323 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2321 2332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2321 2330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2321 2322 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2320 2332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2320 2321 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2348 2353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2347 2355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2347 2353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2347 2348 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2346 2357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2346 2355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2346 2347 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2345 2357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2345 2346 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2373 2378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2372 2380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2372 2378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2372 2373 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2371 2382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2371 2380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2371 2372 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2370 2382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2370 2371 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2398 2403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2397 2405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2397 2403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2397 2398 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2396 2407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2396 2405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2396 2397 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2395 2407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2395 2396 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2423 2428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2422 2430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2422 2428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2422 2423 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2421 2432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2421 2430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2421 2422 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2420 2432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2420 2421 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2448 2453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2447 2455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2447 2453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2447 2448 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2446 2457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2446 2455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2446 2447 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2445 2457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2445 2446 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2473 2478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2472 2480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2472 2478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2472 2473 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2471 2482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2471 2480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2471 2472 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2470 2482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2470 2471 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2498 2503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2497 2505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2497 2503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2497 2498 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2496 2507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2496 2505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2496 2497 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2495 2507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2495 2496 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2523 2528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2522 2530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2522 2528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2522 2523 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2521 2532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2521 2530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2521 2522 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2520 2532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2520 2521 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2548 2553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2547 2555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2547 2553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2547 2548 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2546 2557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2546 2555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2546 2547 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2545 2557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2545 2546 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2573 2578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2572 2580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2572 2578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2572 2573 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2571 2582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2571 2580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2571 2572 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2570 2582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2570 2571 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2598 2603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2597 2605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2597 2603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2597 2598 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2596 2607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2596 2605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2596 2597 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2595 2607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2595 2596 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2623 2628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2622 2630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2622 2628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2622 2623 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2621 2632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2621 2630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2621 2622 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2620 2632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2620 2621 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2648 2653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2647 2655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2647 2653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2647 2648 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2646 2657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2646 2655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2646 2647 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2645 2657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2645 2646 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2673 2678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2672 2680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2672 2678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2672 2673 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2671 2682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2671 2680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2671 2672 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2670 2682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2670 2671 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2698 2703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2697 2705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2697 2703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2697 2698 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2696 2707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2696 2705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2696 2697 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2695 2707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2695 2696 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2723 2728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2722 2730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2722 2728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2722 2723 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2721 2732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2721 2730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2721 2722 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2720 2732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2720 2721 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2748 2753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2747 2755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2747 2753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2747 2748 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2746 2757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2746 2755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2746 2747 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2745 2757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2745 2746 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2773 2778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2772 2780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2772 2778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2772 2773 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2771 2782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2771 2780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2771 2772 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2770 2782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2770 2771 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2798 2803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2797 2805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2797 2803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2797 2798 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2796 2807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2796 2805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2796 2797 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2795 2807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2795 2796 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2823 2828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2822 2830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2822 2828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2822 2823 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2821 2832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2821 2830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2821 2822 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2820 2832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2820 2821 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2848 2853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2847 2855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2847 2853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2847 2848 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2846 2857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2846 2855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2846 2847 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2845 2857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2845 2846 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2873 2878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2872 2880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2872 2878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2872 2873 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2871 2882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2871 2880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2871 2872 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2870 2882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2870 2871 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2898 2903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2897 2905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2897 2903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2897 2898 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2896 2907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2896 2905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2896 2897 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2895 2907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2895 2896 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2923 2928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2922 2930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2922 2928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2922 2923 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2921 2932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2921 2930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2921 2922 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2920 2932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2920 2921 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2948 2953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2947 2955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2947 2953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2947 2948 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2946 2957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2946 2955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2946 2947 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2945 2957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2945 2946 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2973 2978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2972 2980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2972 2978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2972 2973 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2971 2982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2971 2980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2971 2972 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2970 2982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2970 2971 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2998 3003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2997 3005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2997 3003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2997 2998 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2996 3007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2996 3005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2996 2997 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2995 3007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2995 2996 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3023 3028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3022 3030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3022 3028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3022 3023 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3021 3032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3021 3030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3021 3022 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3020 3032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3020 3021 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3048 3053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3047 3055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3047 3053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3047 3048 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3046 3057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3046 3055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3046 3047 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3045 3057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3045 3046 duplicates bond ('triangular' bond) or angle ('square' bond) Building improper torsion parameters. total 510 improper torsions applied Building H-Bond parameters. Incorporating Non-Bonded adjustments. Not Marking per-residue atom chain types. Marking per-residue atom chain types. (Residues lacking connect0/connect1 - these don't have chain types marked: res total affected ACN 154 BF4 102 BMI 102 ) (no restraints) > ls ERROR: syntax error log started: Wed Mar 4 14:14:54 2015 Log file: ./leap.log >> # >> # ----- leaprc for loading the general Amber Force field. >> # This file is mostly for use with Antechamber >> # >> # load atom type hybridizations >> # >> addAtomTypes { >> { "h1" "H" "sp3" } >> { "h2" "H" "sp3" } >> { "h3" "H" "sp3" } >> { "h4" "H" "sp3" } >> { "h5" "H" "sp3" } >> { "ha" "H" "sp3" } >> { "hc" "H" "sp3" } >> { "hn" "H" "sp3" } >> { "ho" "H" "sp3" } >> { "hp" "H" "sp3" } >> { "hs" "H" "sp3" } >> { "hw" "H" "sp3" } >> { "hx" "H" "sp3" } >> { "o" "O" "sp2" } >> { "o2" "O" "sp2" } >> { "oh" "O" "sp3" } >> { "os" "O" "sp3" } >> { "ow" "O" "sp3" } >> { "c" "C" "sp2" } >> { "c1" "C" "sp2" } >> { "c2" "C" "sp2" } >> { "c3" "C" "sp3" } >> { "ca" "C" "sp2" } >> { "cc" "C" "sp2" } >> { "cd" "C" "sp2" } >> { "ce" "C" "sp2" } >> { "cf" "C" "sp2" } >> { "cg" "C" "sp2" } >> { "ch" "C" "sp2" } >> { "cp" "C" "sp2" } >> { "cq" "C" "sp2" } >> { "cu" "C" "sp2" } >> { "cv" "C" "sp2" } >> { "cx" "C" "sp2" } >> { "cy" "C" "sp2" } >> { "cz" "C" "sp2" } >> { "n" "N" "sp2" } >> { "n1" "N" "sp2" } >> { "n2" "N" "sp2" } >> { "n3" "N" "sp3" } >> { "n4" "N" "sp3" } >> { "na" "N" "sp2" } >> { "nb" "N" "sp2" } >> { "nc" "N" "sp2" } >> { "nd" "N" "sp2" } >> { "ne" "N" "sp2" } >> { "nf" "N" "sp2" } >> { "nh" "N" "sp2" } >> { "no" "N" "sp2" } >> { "s" "S" "sp2" } >> { "s2" "S" "sp2" } >> { "s3" "S" "sp3" } >> { "s4" "S" "sp3" } >> { "s6" "S" "sp3" } >> { "sh" "S" "sp3" } >> { "ss" "S" "sp3" } >> { "sx" "S" "sp3" } >> { "sy" "S" "sp3" } >> { "p2" "P" "sp2" } >> { "p3" "P" "sp3" } >> { "p4" "P" "sp3" } >> { "p5" "P" "sp3" } >> { "pb" "P" "sp3" } >> { "pc" "P" "sp3" } >> { "pd" "P" "sp3" } >> { "pe" "P" "sp3" } >> { "pf" "P" "sp3" } >> { "px" "P" "sp3" } >> { "py" "P" "sp3" } >> { "f" "F" "sp3" } >> { "cl" "Cl" "sp3" } >> { "br" "Br" "sp3" } >> { "i" "I" "sp3" } >> } >> # >> # Load the general force field parameter set. >> # >> gaff = loadamberparams gaff.dat Loading parameters: /home/farm/amber12/dat/leap/parm/gaff.dat Reading title: AMBER General Force Field for organic molecules (Version 1.5, January 2013) > > > BMI = loadmol2 bmi.mol2 Loading Mol2 file: ./bmi.mol2 Reading MOLECULE named BMI > > BF4 = loadmol2 bf4.mol2 Loading Mol2 file: ./bf4.mol2 Reading MOLECULE named BF4 > > ACN = loadmol2 acn.mol2 Loading Mol2 file: ./acn.mol2 Reading MOLECULE named ACN > > ionicbox = loadPdb ionicbox.pdb Loading PDB file: ./ionicbox.pdb Enter zPdbReadScan from call depth 0. (starting new molecule for chain B) (starting new molecule for chain C) Exit zPdbReadScan from call depth 0. Matching PDB residue names to LEaP variables. (Residue 0: BF4, Terminal/beginning, was not found in name map.) (Residue 1: BF4, Nonterminal, was not found in name map.) (Residue 2: BF4, Nonterminal, was not found in name map.) (Residue 3: BF4, Nonterminal, was not found in name map.) (Residue 4: BF4, Nonterminal, was not found in name map.) (Residue 5: BF4, Nonterminal, was not found in name map.) (Residue 6: BF4, Nonterminal, was not found in name map.) (Residue 7: BF4, Nonterminal, was not found in name map.) (Residue 8: BF4, Nonterminal, was not found in name map.) (Residue 9: BF4, Nonterminal, was not found in name map.) (Residue 10: BF4, Nonterminal, was not found in name map.) (Residue 11: BF4, Nonterminal, was not found in name map.) (Residue 12: BF4, Nonterminal, was not found in name map.) (Residue 13: BF4, Nonterminal, was not found in name map.) (Residue 14: BF4, Nonterminal, was not found in name map.) (Residue 15: BF4, Nonterminal, was not found in name map.) (Residue 16: BF4, Nonterminal, was not found in name map.) (Residue 17: BF4, Nonterminal, was not found in name map.) (Residue 18: BF4, Nonterminal, was not found in name map.) (Residue 19: BF4, Nonterminal, was not found in name map.) (Residue 20: BF4, Nonterminal, was not found in name map.) (Residue 21: BF4, Nonterminal, was not found in name map.) (Residue 22: BF4, Nonterminal, was not found in name map.) (Residue 23: BF4, Nonterminal, was not found in name map.) (Residue 24: BF4, Nonterminal, was not found in name map.) (Residue 25: BF4, Nonterminal, was not found in name map.) (Residue 26: BF4, Nonterminal, was not found in name map.) (Residue 27: BF4, Nonterminal, was not found in name map.) (Residue 28: BF4, Nonterminal, was not found in name map.) (Residue 29: BF4, Nonterminal, was not found in name map.) (Residue 30: BF4, Nonterminal, was not found in name map.) (Residue 31: BF4, Nonterminal, was not found in name map.) (Residue 32: BF4, Nonterminal, was not found in name map.) (Residue 33: BF4, Nonterminal, was not found in name map.) (Residue 34: BF4, Nonterminal, was not found in name map.) (Residue 35: BF4, Nonterminal, was not found in name map.) (Residue 36: BF4, Nonterminal, was not found in name map.) (Residue 37: BF4, Nonterminal, was not found in name map.) (Residue 38: BF4, Nonterminal, was not found in name map.) (Residue 39: BF4, Nonterminal, was not found in name map.) (Residue 40: BF4, Nonterminal, was not found in name map.) (Residue 41: BF4, Nonterminal, was not found in name map.) (Residue 42: BF4, Nonterminal, was not found in name map.) (Residue 43: BF4, Nonterminal, was not found in name map.) (Residue 44: BF4, Nonterminal, was not found in name map.) (Residue 45: BF4, Nonterminal, was not found in name map.) (Residue 46: BF4, Nonterminal, was not found in name map.) (Residue 47: BF4, Nonterminal, was not found in name map.) (Residue 48: BF4, Nonterminal, was not found in name map.) (Residue 49: BF4, Nonterminal, was not found in name map.) (Residue 50: BF4, Nonterminal, was not found in name map.) (Residue 51: BF4, Nonterminal, was not found in name map.) (Residue 52: BF4, Nonterminal, was not found in name map.) (Residue 53: BF4, Nonterminal, was not found in name map.) (Residue 54: BF4, Nonterminal, was not found in name map.) (Residue 55: BF4, Nonterminal, was not found in name map.) (Residue 56: BF4, Nonterminal, was not found in name map.) (Residue 57: BF4, Nonterminal, was not found in name map.) (Residue 58: BF4, Nonterminal, was not found in name map.) (Residue 59: BF4, Nonterminal, was not found in name map.) (Residue 60: BF4, Nonterminal, was not found in name map.) (Residue 61: BF4, Nonterminal, was not found in name map.) (Residue 62: BF4, Nonterminal, was not found in name map.) (Residue 63: BF4, Nonterminal, was not found in name map.) (Residue 64: BF4, Nonterminal, was not found in name map.) (Residue 65: BF4, Nonterminal, was not found in name map.) (Residue 66: BF4, Nonterminal, was not found in name map.) (Residue 67: BF4, Nonterminal, was not found in name map.) (Residue 68: BF4, Nonterminal, was not found in name map.) (Residue 69: BF4, Nonterminal, was not found in name map.) (Residue 70: BF4, Nonterminal, was not found in name map.) (Residue 71: BF4, Nonterminal, was not found in name map.) (Residue 72: BF4, Nonterminal, was not found in name map.) (Residue 73: BF4, Nonterminal, was not found in name map.) (Residue 74: BF4, Nonterminal, was not found in name map.) (Residue 75: BF4, Nonterminal, was not found in name map.) (Residue 76: BF4, Nonterminal, was not found in name map.) (Residue 77: BF4, Nonterminal, was not found in name map.) (Residue 78: BF4, Nonterminal, was not found in name map.) (Residue 79: BF4, Nonterminal, was not found in name map.) (Residue 80: BF4, Nonterminal, was not found in name map.) (Residue 81: BF4, Nonterminal, was not found in name map.) (Residue 82: BF4, Nonterminal, was not found in name map.) (Residue 83: BF4, Nonterminal, was not found in name map.) (Residue 84: BF4, Nonterminal, was not found in name map.) (Residue 85: BF4, Nonterminal, was not found in name map.) (Residue 86: BF4, Nonterminal, was not found in name map.) (Residue 87: BF4, Nonterminal, was not found in name map.) (Residue 88: BF4, Nonterminal, was not found in name map.) (Residue 89: BF4, Nonterminal, was not found in name map.) (Residue 90: BF4, Nonterminal, was not found in name map.) (Residue 91: BF4, Nonterminal, was not found in name map.) (Residue 92: BF4, Nonterminal, was not found in name map.) (Residue 93: BF4, Nonterminal, was not found in name map.) (Residue 94: BF4, Nonterminal, was not found in name map.) (Residue 95: BF4, Nonterminal, was not found in name map.) (Residue 96: BF4, Nonterminal, was not found in name map.) (Residue 97: BF4, Nonterminal, was not found in name map.) (Residue 98: BF4, Nonterminal, was not found in name map.) (Residue 99: BF4, Nonterminal, was not found in name map.) (Residue 100: BF4, Nonterminal, was not found in name map.) (Residue 101: BF4, Terminal/last, was not found in name map.) (Residue 102: BMI, Terminal/beginning, was not found in name map.) (Residue 103: BMI, Nonterminal, was not found in name map.) (Residue 104: BMI, Nonterminal, was not found in name map.) (Residue 105: BMI, Nonterminal, was not found in name map.) (Residue 106: BMI, Nonterminal, was not found in name map.) (Residue 107: BMI, Nonterminal, was not found in name map.) (Residue 108: BMI, Nonterminal, was not found in name map.) (Residue 109: BMI, Nonterminal, was not found in name map.) (Residue 110: BMI, Nonterminal, was not found in name map.) (Residue 111: BMI, Nonterminal, was not found in name map.) (Residue 112: BMI, Nonterminal, was not found in name map.) (Residue 113: BMI, Nonterminal, was not found in name map.) (Residue 114: BMI, Nonterminal, was not found in name map.) (Residue 115: BMI, Nonterminal, was not found in name map.) (Residue 116: BMI, Nonterminal, was not found in name map.) (Residue 117: BMI, Nonterminal, was not found in name map.) (Residue 118: BMI, Nonterminal, was not found in name map.) (Residue 119: BMI, Nonterminal, was not found in name map.) (Residue 120: BMI, Nonterminal, was not found in name map.) (Residue 121: BMI, Nonterminal, was not found in name map.) (Residue 122: BMI, Nonterminal, was not found in name map.) (Residue 123: BMI, Nonterminal, was not found in name map.) (Residue 124: BMI, Nonterminal, was not found in name map.) (Residue 125: BMI, Nonterminal, was not found in name map.) (Residue 126: BMI, Nonterminal, was not found in name map.) (Residue 127: BMI, Nonterminal, was not found in name map.) (Residue 128: BMI, Nonterminal, was not found in name map.) (Residue 129: BMI, Nonterminal, was not found in name map.) (Residue 130: BMI, Nonterminal, was not found in name map.) (Residue 131: BMI, Nonterminal, was not found in name map.) (Residue 132: BMI, Nonterminal, was not found in name map.) (Residue 133: BMI, Nonterminal, was not found in name map.) (Residue 134: BMI, Nonterminal, was not found in name map.) (Residue 135: BMI, Nonterminal, was not found in name map.) (Residue 136: BMI, Nonterminal, was not found in name map.) (Residue 137: BMI, Nonterminal, was not found in name map.) (Residue 138: BMI, Nonterminal, was not found in name map.) (Residue 139: BMI, Nonterminal, was not found in name map.) (Residue 140: BMI, Nonterminal, was not found in name map.) (Residue 141: BMI, Nonterminal, was not found in name map.) (Residue 142: BMI, Nonterminal, was not found in name map.) (Residue 143: BMI, Nonterminal, was not found in name map.) (Residue 144: BMI, Nonterminal, was not found in name map.) (Residue 145: BMI, Nonterminal, was not found in name map.) (Residue 146: BMI, Nonterminal, was not found in name map.) (Residue 147: BMI, Nonterminal, was not found in name map.) (Residue 148: BMI, Nonterminal, was not found in name map.) (Residue 149: BMI, Nonterminal, was not found in name map.) (Residue 150: BMI, Nonterminal, was not found in name map.) (Residue 151: BMI, Nonterminal, was not found in name map.) (Residue 152: BMI, Nonterminal, was not found in name map.) (Residue 153: BMI, Nonterminal, was not found in name map.) (Residue 154: BMI, Nonterminal, was not found in name map.) (Residue 155: BMI, Nonterminal, was not found in name map.) (Residue 156: BMI, Nonterminal, was not found in name map.) (Residue 157: BMI, Nonterminal, was not found in name map.) (Residue 158: BMI, Nonterminal, was not found in name map.) (Residue 159: BMI, Nonterminal, was not found in name map.) (Residue 160: BMI, Nonterminal, was not found in name map.) (Residue 161: BMI, Nonterminal, was not found in name map.) (Residue 162: BMI, Nonterminal, was not found in name map.) (Residue 163: BMI, Nonterminal, was not found in name map.) (Residue 164: BMI, Nonterminal, was not found in name map.) (Residue 165: BMI, Nonterminal, was not found in name map.) (Residue 166: BMI, Nonterminal, was not found in name map.) (Residue 167: BMI, Nonterminal, was not found in name map.) (Residue 168: BMI, Nonterminal, was not found in name map.) (Residue 169: BMI, Nonterminal, was not found in name map.) (Residue 170: BMI, Nonterminal, was not found in name map.) (Residue 171: BMI, Nonterminal, was not found in name map.) (Residue 172: BMI, Nonterminal, was not found in name map.) (Residue 173: BMI, Nonterminal, was not found in name map.) (Residue 174: BMI, Nonterminal, was not found in name map.) (Residue 175: BMI, Nonterminal, was not found in name map.) (Residue 176: BMI, Nonterminal, was not found in name map.) (Residue 177: BMI, Nonterminal, was not found in name map.) (Residue 178: BMI, Nonterminal, was not found in name map.) (Residue 179: BMI, Nonterminal, was not found in name map.) (Residue 180: BMI, Nonterminal, was not found in name map.) (Residue 181: BMI, Nonterminal, was not found in name map.) (Residue 182: BMI, Nonterminal, was not found in name map.) (Residue 183: BMI, Nonterminal, was not found in name map.) (Residue 184: BMI, Nonterminal, was not found in name map.) (Residue 185: BMI, Nonterminal, was not found in name map.) (Residue 186: BMI, Nonterminal, was not found in name map.) (Residue 187: BMI, Nonterminal, was not found in name map.) (Residue 188: BMI, Nonterminal, was not found in name map.) (Residue 189: BMI, Nonterminal, was not found in name map.) (Residue 190: BMI, Nonterminal, was not found in name map.) (Residue 191: BMI, Nonterminal, was not found in name map.) (Residue 192: BMI, Nonterminal, was not found in name map.) (Residue 193: BMI, Nonterminal, was not found in name map.) (Residue 194: BMI, Nonterminal, was not found in name map.) (Residue 195: BMI, Nonterminal, was not found in name map.) (Residue 196: BMI, Nonterminal, was not found in name map.) (Residue 197: BMI, Nonterminal, was not found in name map.) (Residue 198: BMI, Nonterminal, was not found in name map.) (Residue 199: BMI, Nonterminal, was not found in name map.) (Residue 200: BMI, Nonterminal, was not found in name map.) (Residue 201: BMI, Nonterminal, was not found in name map.) (Residue 202: BMI, Nonterminal, was not found in name map.) (Residue 203: BMI, Terminal/last, was not found in name map.) (Residue 204: ACN, Terminal/beginning, was not found in name map.) (Residue 205: ACN, Nonterminal, was not found in name map.) (Residue 206: ACN, Nonterminal, was not found in name map.) (Residue 207: ACN, Nonterminal, was not found in name map.) (Residue 208: ACN, Nonterminal, was not found in name map.) (Residue 209: ACN, Nonterminal, was not found in name map.) (Residue 210: ACN, Nonterminal, was not found in name map.) (Residue 211: ACN, Nonterminal, was not found in name map.) (Residue 212: ACN, Nonterminal, was not found in name map.) (Residue 213: ACN, Nonterminal, was not found in name map.) (Residue 214: ACN, Nonterminal, was not found in name map.) (Residue 215: ACN, Nonterminal, was not found in name map.) (Residue 216: ACN, Nonterminal, was not found in name map.) (Residue 217: ACN, Nonterminal, was not found in name map.) (Residue 218: ACN, Nonterminal, was not found in name map.) (Residue 219: ACN, Nonterminal, was not found in name map.) (Residue 220: ACN, Nonterminal, was not found in name map.) (Residue 221: ACN, Nonterminal, was not found in name map.) (Residue 222: ACN, Nonterminal, was not found in name map.) (Residue 223: ACN, Nonterminal, was not found in name map.) (Residue 224: ACN, Nonterminal, was not found in name map.) (Residue 225: ACN, Nonterminal, was not found in name map.) (Residue 226: ACN, Nonterminal, was not found in name map.) (Residue 227: ACN, Nonterminal, was not found in name map.) (Residue 228: ACN, Nonterminal, was not found in name map.) (Residue 229: ACN, Nonterminal, was not found in name map.) (Residue 230: ACN, Nonterminal, was not found in name map.) (Residue 231: ACN, Nonterminal, was not found in name map.) (Residue 232: ACN, Nonterminal, was not found in name map.) (Residue 233: ACN, Nonterminal, was not found in name map.) (Residue 234: ACN, Nonterminal, was not found in name map.) (Residue 235: ACN, Nonterminal, was not found in name map.) (Residue 236: ACN, Nonterminal, was not found in name map.) (Residue 237: ACN, Nonterminal, was not found in name map.) (Residue 238: ACN, Nonterminal, was not found in name map.) (Residue 239: ACN, Nonterminal, was not found in name map.) (Residue 240: ACN, Nonterminal, was not found in name map.) (Residue 241: ACN, Nonterminal, was not found in name map.) (Residue 242: ACN, Nonterminal, was not found in name map.) (Residue 243: ACN, Nonterminal, was not found in name map.) (Residue 244: ACN, Nonterminal, was not found in name map.) (Residue 245: ACN, Nonterminal, was not found in name map.) (Residue 246: ACN, Nonterminal, was not found in name map.) (Residue 247: ACN, Nonterminal, was not found in name map.) (Residue 248: ACN, Nonterminal, was not found in name map.) (Residue 249: ACN, Nonterminal, was not found in name map.) (Residue 250: ACN, Nonterminal, was not found in name map.) (Residue 251: ACN, Nonterminal, was not found in name map.) (Residue 252: ACN, Nonterminal, was not found in name map.) (Residue 253: ACN, Nonterminal, was not found in name map.) (Residue 254: ACN, Nonterminal, was not found in name map.) (Residue 255: ACN, Nonterminal, was not found in name map.) (Residue 256: ACN, Nonterminal, was not found in name map.) (Residue 257: ACN, Nonterminal, was not found in name map.) (Residue 258: ACN, Nonterminal, was not found in name map.) (Residue 259: ACN, Nonterminal, was not found in name map.) (Residue 260: ACN, Nonterminal, was not found in name map.) (Residue 261: ACN, Nonterminal, was not found in name map.) (Residue 262: ACN, Nonterminal, was not found in name map.) (Residue 263: ACN, Nonterminal, was not found in name map.) (Residue 264: ACN, Nonterminal, was not found in name map.) (Residue 265: ACN, Nonterminal, was not found in name map.) (Residue 266: ACN, Nonterminal, was not found in name map.) (Residue 267: ACN, Nonterminal, was not found in name map.) (Residue 268: ACN, Nonterminal, was not found in name map.) (Residue 269: ACN, Nonterminal, was not found in name map.) (Residue 270: ACN, Nonterminal, was not found in name map.) (Residue 271: ACN, Nonterminal, was not found in name map.) (Residue 272: ACN, Nonterminal, was not found in name map.) (Residue 273: ACN, Nonterminal, was not found in name map.) (Residue 274: ACN, Nonterminal, was not found in name map.) (Residue 275: ACN, Nonterminal, was not found in name map.) (Residue 276: ACN, Nonterminal, was not found in name map.) (Residue 277: ACN, Nonterminal, was not found in name map.) (Residue 278: ACN, Nonterminal, was not found in name map.) (Residue 279: ACN, Nonterminal, was not found in name map.) (Residue 280: ACN, Nonterminal, was not found in name map.) (Residue 281: ACN, Nonterminal, was not found in name map.) (Residue 282: ACN, Nonterminal, was not found in name map.) (Residue 283: ACN, Nonterminal, was not found in name map.) (Residue 284: ACN, Nonterminal, was not found in name map.) (Residue 285: ACN, Nonterminal, was not found in name map.) (Residue 286: ACN, Nonterminal, was not found in name map.) (Residue 287: ACN, Nonterminal, was not found in name map.) (Residue 288: ACN, Nonterminal, was not found in name map.) (Residue 289: ACN, Nonterminal, was not found in name map.) (Residue 290: ACN, Nonterminal, was not found in name map.) (Residue 291: ACN, Nonterminal, was not found in name map.) (Residue 292: ACN, Nonterminal, was not found in name map.) (Residue 293: ACN, Nonterminal, was not found in name map.) (Residue 294: ACN, Nonterminal, was not found in name map.) (Residue 295: ACN, Nonterminal, was not found in name map.) (Residue 296: ACN, Nonterminal, was not found in name map.) (Residue 297: ACN, Nonterminal, was not found in name map.) (Residue 298: ACN, Nonterminal, was not found in name map.) (Residue 299: ACN, Nonterminal, was not found in name map.) (Residue 300: ACN, Nonterminal, was not found in name map.) (Residue 301: ACN, Nonterminal, was not found in name map.) (Residue 302: ACN, Nonterminal, was not found in name map.) (Residue 303: ACN, Nonterminal, was not found in name map.) (Residue 304: ACN, Nonterminal, was not found in name map.) (Residue 305: ACN, Nonterminal, was not found in name map.) (Residue 306: ACN, Nonterminal, was not found in name map.) (Residue 307: ACN, Nonterminal, was not found in name map.) (Residue 308: ACN, Nonterminal, was not found in name map.) (Residue 309: ACN, Nonterminal, was not found in name map.) (Residue 310: ACN, Nonterminal, was not found in name map.) (Residue 311: ACN, Nonterminal, was not found in name map.) (Residue 312: ACN, Nonterminal, was not found in name map.) (Residue 313: ACN, Nonterminal, was not found in name map.) (Residue 314: ACN, Nonterminal, was not found in name map.) (Residue 315: ACN, Nonterminal, was not found in name map.) (Residue 316: ACN, Nonterminal, was not found in name map.) (Residue 317: ACN, Nonterminal, was not found in name map.) (Residue 318: ACN, Nonterminal, was not found in name map.) (Residue 319: ACN, Nonterminal, was not found in name map.) (Residue 320: ACN, Nonterminal, was not found in name map.) (Residue 321: ACN, Nonterminal, was not found in name map.) (Residue 322: ACN, Nonterminal, was not found in name map.) (Residue 323: ACN, Nonterminal, was not found in name map.) (Residue 324: ACN, Nonterminal, was not found in name map.) (Residue 325: ACN, Nonterminal, was not found in name map.) (Residue 326: ACN, Nonterminal, was not found in name map.) (Residue 327: ACN, Nonterminal, was not found in name map.) (Residue 328: ACN, Nonterminal, was not found in name map.) (Residue 329: ACN, Nonterminal, was not found in name map.) (Residue 330: ACN, Nonterminal, was not found in name map.) (Residue 331: ACN, Nonterminal, was not found in name map.) (Residue 332: ACN, Nonterminal, was not found in name map.) (Residue 333: ACN, Nonterminal, was not found in name map.) (Residue 334: ACN, Nonterminal, was not found in name map.) (Residue 335: ACN, Nonterminal, was not found in name map.) (Residue 336: ACN, Nonterminal, was not found in name map.) (Residue 337: ACN, Nonterminal, was not found in name map.) (Residue 338: ACN, Nonterminal, was not found in name map.) (Residue 339: ACN, Nonterminal, was not found in name map.) (Residue 340: ACN, Nonterminal, was not found in name map.) (Residue 341: ACN, Nonterminal, was not found in name map.) (Residue 342: ACN, Nonterminal, was not found in name map.) (Residue 343: ACN, Nonterminal, was not found in name map.) (Residue 344: ACN, Nonterminal, was not found in name map.) (Residue 345: ACN, Nonterminal, was not found in name map.) (Residue 346: ACN, Nonterminal, was not found in name map.) (Residue 347: ACN, Nonterminal, was not found in name map.) (Residue 348: ACN, Nonterminal, was not found in name map.) (Residue 349: ACN, Nonterminal, was not found in name map.) (Residue 350: ACN, Nonterminal, was not found in name map.) (Residue 351: ACN, Nonterminal, was not found in name map.) (Residue 352: ACN, Nonterminal, was not found in name map.) (Residue 353: ACN, Nonterminal, was not found in name map.) (Residue 354: ACN, Nonterminal, was not found in name map.) (Residue 355: ACN, Nonterminal, was not found in name map.) (Residue 356: ACN, Nonterminal, was not found in name map.) (Residue 357: ACN, Terminal/last, was not found in name map.) Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BF4 Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN Starting new chain with ACN total atoms in file: 3984 > > loadamberparams frcmod.bf4 Loading parameters: ./frcmod.bf4 Reading force field modification type file (frcmod) Reading title: remark goes here (UNKNOWN ATOM TYPE: B) > > loadamberparams frcmod.bmi Loading parameters: ./frcmod.bmi Reading force field modification type file (frcmod) Reading title: remark goes here (UNKNOWN ATOM TYPE: DU) > > loadamberparams frcmod.acn Loading parameters: ./frcmod.acn Reading force field modification type file (frcmod) Reading title: remark goes here > > setbox ionicbox centers Box dimensions: 34.999000 35.000000 34.999000 > > saveAmberParm ionicbox ionicbox.prmtop ionicbox.inpcrd Checking Unit. ERROR: The unperturbed charge of the unit: 0.101898 is not integral. WARNING: The unperturbed charge of the unit: 0.101898 is not zero. -- ignoring the error and warning. Building topology. Building atom parameters. Building bond parameters. Building angle parameters. Building proper torsion parameters. 1-4: angle 523 528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 522 530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 522 528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 522 523 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 521 532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 521 530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 521 522 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 520 532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 520 521 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 548 553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 547 555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 547 553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 547 548 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 546 557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 546 555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 546 547 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 545 557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 545 546 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 573 578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 572 580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 572 578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 572 573 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 571 582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 571 580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 571 572 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 570 582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 570 571 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 598 603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 597 605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 597 603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 597 598 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 596 607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 596 605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 596 597 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 595 607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 595 596 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 623 628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 622 630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 622 628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 622 623 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 621 632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 621 630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 621 622 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 620 632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 620 621 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 648 653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 647 655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 647 653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 647 648 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 646 657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 646 655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 646 647 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 645 657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 645 646 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 673 678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 672 680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 672 678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 672 673 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 671 682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 671 680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 671 672 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 670 682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 670 671 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 698 703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 697 705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 697 703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 697 698 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 696 707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 696 705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 696 697 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 695 707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 695 696 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 723 728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 722 730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 722 728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 722 723 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 721 732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 721 730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 721 722 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 720 732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 720 721 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 748 753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 747 755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 747 753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 747 748 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 746 757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 746 755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 746 747 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 745 757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 745 746 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 773 778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 772 780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 772 778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 772 773 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 771 782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 771 780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 771 772 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 770 782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 770 771 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 798 803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 797 805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 797 803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 797 798 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 796 807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 796 805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 796 797 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 795 807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 795 796 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 823 828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 822 830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 822 828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 822 823 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 821 832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 821 830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 821 822 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 820 832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 820 821 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 848 853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 847 855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 847 853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 847 848 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 846 857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 846 855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 846 847 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 845 857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 845 846 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 873 878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 872 880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 872 878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 872 873 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 871 882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 871 880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 871 872 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 870 882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 870 871 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 898 903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 897 905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 897 903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 897 898 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 896 907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 896 905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 896 897 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 895 907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 895 896 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 923 928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 922 930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 922 928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 922 923 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 921 932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 921 930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 921 922 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 920 932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 920 921 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 948 953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 947 955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 947 953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 947 948 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 946 957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 946 955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 946 947 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 945 957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 945 946 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 973 978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 972 980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 972 978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 972 973 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 971 982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 971 980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 971 972 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 970 982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 970 971 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 998 1003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 997 1005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 997 1003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 997 998 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 996 1007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 996 1005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 996 997 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 995 1007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 995 996 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1023 1028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1022 1030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1022 1028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1022 1023 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1021 1032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1021 1030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1021 1022 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1020 1032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1020 1021 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1048 1053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1047 1055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1047 1053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1047 1048 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1046 1057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1046 1055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1046 1047 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1045 1057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1045 1046 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1073 1078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1072 1080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1072 1078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1072 1073 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1071 1082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1071 1080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1071 1072 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1070 1082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1070 1071 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1098 1103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1097 1105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1097 1103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1097 1098 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1096 1107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1096 1105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1096 1097 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1095 1107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1095 1096 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1123 1128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1122 1130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1122 1128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1122 1123 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1121 1132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1121 1130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1121 1122 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1120 1132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1120 1121 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1148 1153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1147 1155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1147 1153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1147 1148 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1146 1157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1146 1155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1146 1147 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1145 1157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1145 1146 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1173 1178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1172 1180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1172 1178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1172 1173 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1171 1182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1171 1180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1171 1172 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1170 1182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1170 1171 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1198 1203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1197 1205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1197 1203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1197 1198 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1196 1207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1196 1205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1196 1197 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1195 1207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1195 1196 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1223 1228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1222 1230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1222 1228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1222 1223 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1221 1232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1221 1230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1221 1222 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1220 1232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1220 1221 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1248 1253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1247 1255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1247 1253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1247 1248 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1246 1257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1246 1255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1246 1247 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1245 1257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1245 1246 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1273 1278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1272 1280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1272 1278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1272 1273 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1271 1282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1271 1280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1271 1272 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1270 1282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1270 1271 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1298 1303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1297 1305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1297 1303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1297 1298 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1296 1307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1296 1305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1296 1297 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1295 1307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1295 1296 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1323 1328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1322 1330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1322 1328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1322 1323 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1321 1332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1321 1330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1321 1322 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1320 1332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1320 1321 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1348 1353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1347 1355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1347 1353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1347 1348 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1346 1357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1346 1355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1346 1347 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1345 1357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1345 1346 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1373 1378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1372 1380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1372 1378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1372 1373 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1371 1382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1371 1380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1371 1372 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1370 1382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1370 1371 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1398 1403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1397 1405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1397 1403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1397 1398 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1396 1407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1396 1405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1396 1397 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1395 1407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1395 1396 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1423 1428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1422 1430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1422 1428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1422 1423 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1421 1432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1421 1430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1421 1422 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1420 1432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1420 1421 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1448 1453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1447 1455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1447 1453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1447 1448 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1446 1457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1446 1455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1446 1447 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1445 1457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1445 1446 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1473 1478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1472 1480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1472 1478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1472 1473 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1471 1482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1471 1480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1471 1472 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1470 1482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1470 1471 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1498 1503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1497 1505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1497 1503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1497 1498 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1496 1507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1496 1505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1496 1497 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1495 1507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1495 1496 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1523 1528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1522 1530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1522 1528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1522 1523 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1521 1532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1521 1530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1521 1522 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1520 1532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1520 1521 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1548 1553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1547 1555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1547 1553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1547 1548 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1546 1557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1546 1555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1546 1547 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1545 1557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1545 1546 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1573 1578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1572 1580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1572 1578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1572 1573 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1571 1582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1571 1580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1571 1572 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1570 1582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1570 1571 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1598 1603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1597 1605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1597 1603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1597 1598 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1596 1607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1596 1605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1596 1597 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1595 1607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1595 1596 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1623 1628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1622 1630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1622 1628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1622 1623 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1621 1632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1621 1630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1621 1622 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1620 1632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1620 1621 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1648 1653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1647 1655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1647 1653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1647 1648 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1646 1657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1646 1655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1646 1647 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1645 1657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1645 1646 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1673 1678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1672 1680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1672 1678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1672 1673 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1671 1682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1671 1680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1671 1672 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1670 1682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1670 1671 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1698 1703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1697 1705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1697 1703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1697 1698 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1696 1707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1696 1705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1696 1697 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1695 1707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1695 1696 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1723 1728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1722 1730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1722 1728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1722 1723 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1721 1732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1721 1730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1721 1722 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1720 1732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1720 1721 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1748 1753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1747 1755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1747 1753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1747 1748 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1746 1757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1746 1755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1746 1747 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1745 1757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1745 1746 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1773 1778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1772 1780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1772 1778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1772 1773 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1771 1782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1771 1780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1771 1772 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1770 1782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1770 1771 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1798 1803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1797 1805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1797 1803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1797 1798 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1796 1807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1796 1805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1796 1797 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1795 1807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1795 1796 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1823 1828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1822 1830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1822 1828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1822 1823 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1821 1832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1821 1830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1821 1822 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1820 1832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1820 1821 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1848 1853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1847 1855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1847 1853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1847 1848 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1846 1857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1846 1855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1846 1847 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1845 1857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1845 1846 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1873 1878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1872 1880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1872 1878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1872 1873 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1871 1882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1871 1880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1871 1872 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1870 1882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1870 1871 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1898 1903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1897 1905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1897 1903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1897 1898 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1896 1907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1896 1905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1896 1897 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1895 1907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1895 1896 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1923 1928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1922 1930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1922 1928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1922 1923 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1921 1932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1921 1930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1921 1922 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1920 1932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1920 1921 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1948 1953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1947 1955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1947 1953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1947 1948 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1946 1957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1946 1955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1946 1947 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1945 1957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1945 1946 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1973 1978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1972 1980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1972 1978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1972 1973 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1971 1982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1971 1980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1971 1972 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1970 1982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1970 1971 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1998 2003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1997 2005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1997 2003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1997 1998 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1996 2007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1996 2005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1996 1997 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1995 2007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 1995 1996 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2023 2028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2022 2030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2022 2028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2022 2023 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2021 2032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2021 2030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2021 2022 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2020 2032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2020 2021 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2048 2053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2047 2055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2047 2053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2047 2048 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2046 2057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2046 2055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2046 2047 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2045 2057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2045 2046 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2073 2078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2072 2080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2072 2078 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2072 2073 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2071 2082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2071 2080 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2071 2072 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2070 2082 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2070 2071 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2098 2103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2097 2105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2097 2103 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2097 2098 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2096 2107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2096 2105 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2096 2097 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2095 2107 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2095 2096 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2123 2128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2122 2130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2122 2128 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2122 2123 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2121 2132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2121 2130 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2121 2122 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2120 2132 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2120 2121 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2148 2153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2147 2155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2147 2153 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2147 2148 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2146 2157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2146 2155 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2146 2147 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2145 2157 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2145 2146 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2173 2178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2172 2180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2172 2178 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2172 2173 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2171 2182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2171 2180 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2171 2172 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2170 2182 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2170 2171 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2198 2203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2197 2205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2197 2203 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2197 2198 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2196 2207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2196 2205 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2196 2197 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2195 2207 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2195 2196 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2223 2228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2222 2230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2222 2228 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2222 2223 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2221 2232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2221 2230 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2221 2222 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2220 2232 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2220 2221 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2248 2253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2247 2255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2247 2253 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2247 2248 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2246 2257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2246 2255 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2246 2247 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2245 2257 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2245 2246 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2273 2278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2272 2280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2272 2278 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2272 2273 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2271 2282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2271 2280 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2271 2272 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2270 2282 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2270 2271 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2298 2303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2297 2305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2297 2303 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2297 2298 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2296 2307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2296 2305 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2296 2297 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2295 2307 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2295 2296 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2323 2328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2322 2330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2322 2328 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2322 2323 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2321 2332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2321 2330 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2321 2322 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2320 2332 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2320 2321 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2348 2353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2347 2355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2347 2353 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2347 2348 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2346 2357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2346 2355 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2346 2347 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2345 2357 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2345 2346 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2373 2378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2372 2380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2372 2378 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2372 2373 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2371 2382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2371 2380 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2371 2372 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2370 2382 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2370 2371 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2398 2403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2397 2405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2397 2403 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2397 2398 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2396 2407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2396 2405 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2396 2397 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2395 2407 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2395 2396 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2423 2428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2422 2430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2422 2428 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2422 2423 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2421 2432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2421 2430 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2421 2422 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2420 2432 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2420 2421 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2448 2453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2447 2455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2447 2453 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2447 2448 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2446 2457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2446 2455 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2446 2447 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2445 2457 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2445 2446 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2473 2478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2472 2480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2472 2478 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2472 2473 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2471 2482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2471 2480 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2471 2472 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2470 2482 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2470 2471 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2498 2503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2497 2505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2497 2503 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2497 2498 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2496 2507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2496 2505 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2496 2497 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2495 2507 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2495 2496 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2523 2528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2522 2530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2522 2528 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2522 2523 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2521 2532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2521 2530 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2521 2522 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2520 2532 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2520 2521 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2548 2553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2547 2555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2547 2553 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2547 2548 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2546 2557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2546 2555 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2546 2547 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2545 2557 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2545 2546 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2573 2578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2572 2580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2572 2578 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2572 2573 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2571 2582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2571 2580 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2571 2572 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2570 2582 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2570 2571 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2598 2603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2597 2605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2597 2603 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2597 2598 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2596 2607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2596 2605 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2596 2597 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2595 2607 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2595 2596 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2623 2628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2622 2630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2622 2628 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2622 2623 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2621 2632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2621 2630 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2621 2622 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2620 2632 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2620 2621 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2648 2653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2647 2655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2647 2653 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2647 2648 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2646 2657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2646 2655 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2646 2647 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2645 2657 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2645 2646 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2673 2678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2672 2680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2672 2678 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2672 2673 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2671 2682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2671 2680 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2671 2672 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2670 2682 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2670 2671 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2698 2703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2697 2705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2697 2703 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2697 2698 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2696 2707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2696 2705 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2696 2697 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2695 2707 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2695 2696 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2723 2728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2722 2730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2722 2728 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2722 2723 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2721 2732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2721 2730 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2721 2722 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2720 2732 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2720 2721 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2748 2753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2747 2755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2747 2753 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2747 2748 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2746 2757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2746 2755 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2746 2747 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2745 2757 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2745 2746 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2773 2778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2772 2780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2772 2778 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2772 2773 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2771 2782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2771 2780 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2771 2772 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2770 2782 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2770 2771 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2798 2803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2797 2805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2797 2803 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2797 2798 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2796 2807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2796 2805 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2796 2797 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2795 2807 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2795 2796 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2823 2828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2822 2830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2822 2828 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2822 2823 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2821 2832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2821 2830 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2821 2822 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2820 2832 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2820 2821 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2848 2853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2847 2855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2847 2853 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2847 2848 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2846 2857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2846 2855 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2846 2847 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2845 2857 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2845 2846 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2873 2878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2872 2880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2872 2878 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2872 2873 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2871 2882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2871 2880 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2871 2872 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2870 2882 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2870 2871 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2898 2903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2897 2905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2897 2903 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2897 2898 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2896 2907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2896 2905 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2896 2897 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2895 2907 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2895 2896 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2923 2928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2922 2930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2922 2928 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2922 2923 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2921 2932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2921 2930 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2921 2922 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2920 2932 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2920 2921 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2948 2953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2947 2955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2947 2953 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2947 2948 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2946 2957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2946 2955 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2946 2947 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2945 2957 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2945 2946 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2973 2978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2972 2980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2972 2978 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2972 2973 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2971 2982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2971 2980 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2971 2972 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2970 2982 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2970 2971 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2998 3003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2997 3005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2997 3003 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2997 2998 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2996 3007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2996 3005 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2996 2997 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2995 3007 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 2995 2996 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3023 3028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3022 3030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3022 3028 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3022 3023 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3021 3032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3021 3030 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3021 3022 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3020 3032 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3020 3021 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3048 3053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3047 3055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3047 3053 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3047 3048 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3046 3057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3046 3055 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3046 3047 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3045 3057 duplicates bond ('triangular' bond) or angle ('square' bond) 1-4: angle 3045 3046 duplicates bond ('triangular' bond) or angle ('square' bond) Building improper torsion parameters. total 510 improper torsions applied Building H-Bond parameters. Incorporating Non-Bonded adjustments. Not Marking per-residue atom chain types. Marking per-residue atom chain types. (Residues lacking connect0/connect1 - these don't have chain types marked: res total affected ACN 154 BF4 102 BMI 102 ) (no restraints)