Re: AMBER: Using TIP4P water in free energy calculation

From: Lijiang Yang <lijiangy.uci.edu>
Date: Thu, 05 Aug 2004 22:04:07 -0700

----- Original Message -----
From: "David A. Case" <case.scripps.edu>
To: <amber.scripps.edu>
Sent: Thursday, August 05, 2004 3:35 PM
Subject: Re: AMBER: Using TIP4P water in free energy calculation
                                                                                                    

                                                                                                    

> Can you explain what you mean by "the bonds disappeared"? Did the
atoms fly
> apart?
                                                                                                    

Yes, what I mean is that the atoms fly apart.
                                                                                                    

> You can use rdparm to get a list of the bonds in your system. Since the
> problem occurs with clambda=0, it has something to do with the
unperturbed
> Hamiltonian. Your description sounds OK; you may need to post your
prmtop
> file if you can't figure out anything using rdparm.
>
> ...dac
>
Thank you for your suggestion. Here is the information I got from rdparm:
1.
TIP3P
2.TIP4P
RDPARM MENU: bonds :1
RDPARM MENU: bonds
:1

Mask [:1] represents 14
atoms Mask [:1] represents
14 atoms
                                                                                                    

                                                                                                    

    Bond Kb Req atom names (numbers)
Bond Kb Req atom names (numbers)
                                                                                                    

                                                                                                    

RDPARM MENU: bonds :2
RDPARM MENU: bonds :2
                                                                                                      

Mask [:2] represents 3
atoms Mask [:2] represents
4 atoms
                                                                                                    

                                                                                                    

    Bond Kb Req atom names (numbers)
Bond Kb Req atom names (numbers)
       1: 553.00 0.957 :2.H1 :2.O (16,15)
1: 553.00 0.957 :2.H1 :2.O (16,15)
       2: 553.00 0.957 :2.H2 :2.O (17,15)
2: 553.00 0.957 :2.H2 :2.O (17,15)
       3: 553.00 1.514 :2.H2 :2.H1 (17,16)
3: 553.00 1.514 :2.H2 :2.H1 (17,16)
                                                                                                    

                                                                                             
1525: 553.00 0.150 :2.EPW :2.O (18,15)
                                                                                                    

RDPARM MENU: pertbonds :1 RDPARM
MENU: pertbonds :1
Mask [:1] represents 14 atoms
Mask [:1] represents 14 atoms
                                                                                    

   
Bond
Bond
                                                                                                    

lambda Kb Req atom names (numbers)
lambda Kb Req atom names (numbers)
0 1: 0.00 0.000 :1.CB :1.CB (1,1) 0 1:
553.00 0.150 :1.CB :1.CB (1,1)
1 1: 0.00 0.000 :1.CB :1.CB (1,1) 1 1:
553.00 0.150 :1.CB :1.CB (1,1)
                                                                                                                                                                                                         

0 2: 0.00 0.000 :1.CB :1.CB (1,1) 0 2:
553.00 0.150 :1.CB :1.CB (1,1)
1 2: 0.00 0.000 :1.CB :1.CB (1,1) 1 2:
553.00 0.150 :1.CB :1.CB (1,1)
                                                                                                                                                                                                         

0 3: 0.00 0.000 :1.CB :1.CB (1,1) 0 3:
553.00 0.150 :1.CB :1.CB (1,1)
1 3: 0.00 0.000 :1.CB :1.CB (1,1) 1 3:
553.00 0.150 :1.CB :1.CB (1,1)
                                                                                                                                                                                                         

0 4: 0.00 0.000 :1.CB :1.CB (1,1) 0 4:
553.00 0.150 :1.CB :1.CB (1,1)
1 4: 0.00 0.000 :1.CB :1.CB (1,1) 1 4:
553.00 0.150 :1.CB :1.CB (1,1)
                                                                                                                                                                                                         

0 5: 0.00 0.000 :1.CB :1.CB (1,1) 0 5:
553.00 0.150 :1.CB :1.CB (1,1)
1 5: 0.00 0.000 :1.CB :1.CB (1,1) 1 5:
553.00 0.150 :1.CB :1.CB (1,1)
                                                                                                    

                                                                                                    

0 6: 0.00 0.000 :1.CB :1.CB (1,1) 0 6:
553.00 0.150 :1.CB :1.CB (1,1)
1 6: 0.00 0.000 :1.CB :1.CB (1,1) 1 6:
553.00 0.150 :1.CB :1.CB (1,1)
                                                                                                    

                                                                                                    

0 7: 0.00 0.000 :1.CB :1.CB (1,1) 0 7:
553.00 0.150 :1.CB :1.CB (1,1)
1 7: 0.00 0.000 :1.CB :1.CB (1,1) 1 7:
553.00 0.150 :1.CB :1.CB (1,1)
                                                                                                    

                                                                                                    

0 8: 0.00 0.000 :1.CB :1.CB (1,1) 0 8:
553.00 0.150 :1.CB :1.CB (1,1)
1 8: 0.00 0.000 :1.CB :1.CB (1,1) 1 8:
553.00 0.150 :1.CB :1.CB (1,1)
                                                                                                    

                                                                                                    

0 9: 0.00 0.000 :1.CB :1.CB (1,1) 0 9:
553.00 0.150 :1.CB :1.CB (1,1)
1 9: 0.00 0.000 :1.CB :1.CB (1,1) 1 9:
553.00 0.150 :1.CB :1.CB (1,1)
                                                                                                    

                                                                                                    

0 10: 0.00 0.000 :1.CB :1.CB (1,1) 0 10:
553.00 0.150 :1.CB :1.CB (1,1)
1 10: 0.00 0.000 :1.CB :1.CB (1,1) 1 10:
553.00 0.150 :1.CB :1.CB (1,1)
                                                                                                    

                                                                                                    

0 11: 0.00 0.000 :1.CB :1.CB (1,1) 0 11:
553.00 0.150 :1.CB :1.CB (1,1)
1 11: 0.00 0.000 :1.CB :1.CB (1,1) 1 11:
553.00 0.150 :1.CB :1.CB (1,1)
                                                                                                    

                                                                                                    

0 12: 0.00 0.000 :1.CB :1.CB (1,1) 0 12:
553.00 0.150 :1.CB :1.CB (1,1)
1 12: 0.00 0.000 :1.CB :1.CB (1,1) 1 12:
553.00 0.150 :1.CB :1.CB (1,1)
                                                                                                    

                                                                                                    

0 13: 0.00 0.000 :1.CB :1.CB (1,1) 0 13:
553.00 0.150 :1.CB :1.CB (1,1)
1 13: 0.00 0.000 :1.CB :1.CB (1,1) 1 13:
553.00 0.150 :1.CB :1.CB (1,1)
                                                                                                    

Now I get confused. It seems like both TIP3P and TIP4P bonds information
are wrong. However, my TIP3P simulation looks
reasonable ( solute atoms do not fly apart). Then I thought this may be
due to xleap. So I tested leap on my machine. Actually, it passed all
the test. That means there is nothing wrong about my xleap.
  In the attachment, there are my frcmod file loaded in xleap:
frcmod.yang and tow perturbation topology file: leu3p.pert and
leu4p.pert. Could you please help me find what is wrong? Thank you in
advance for your kindness.
                                                                                                    

Best
Lijiang Yang
---------------------------------------------------
Lijiang Yang, Ph.D.
Dr. Ray Luo's Group
Department of Molecular Biology and Biochemistry
University of California, Irvine, CA 92697-3900
Lab: (949)824-9562
e-mail: lijiangy.uci.edu



Yang Vdw only
MASS
DC 12.01 0.878 sp3 aliphatic C
DH 1.008 0.135 H aliph. bond. to C without electrwd.group

BOND
DC-DC 310.0 1.526 JCC,7,(1986),230; AA, SUGARS
DC-DH 340.0 1.090 changed from 331 bsd on NMA nmodes; AA, SUGARS

ANGLE
DC-DC-DC 40.0 109.50
DC-DC-DH 50.0 109.50 changed based on NMA nmodes
DH-DC-DH 35.0 109.50

DIHE
DH-DC-DC-DH 1 0.15 0.0 3. Junmei et al, 1999
DH-DC-DC-DC 1 0.16 0.0 3. Junmei et al, 1999

NONBON
  DC 1.9080 0.1094 Spellmeyer
  DH 1.1870 0.0357 OPLS



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%FLAG MASS
%FORMAT(5E16.8)
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WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
%FLAG RESIDUE_POINTER
%FORMAT(10I8)
       1 15 18 21 24 27 30 33 36 39
      42 45 48 51 54 57 60 63 66 69
      72 75 78 81 84 87 90 93 96 99
     102 105 108 111 114 117 120 123 126 129
     132 135 138 141 144 147 150 153 156 159
     162 165 168 171 174 177 180 183 186 189
     192 195 198 201 204 207 210 213 216 219
     222 225 228 231 234 237 240 243 246 249
     252 255 258 261 264 267 270 273 276 279
     282 285 288 291 294 297 300 303 306 309
     312 315 318 321 324 327 330 333 336 339
     342 345 348 351 354 357 360 363 366 369
     372 375 378 381 384 387 390 393 396 399
     402 405 408 411 414 417 420 423 426 429
     432 435 438 441 444 447 450 453 456 459
     462 465 468 471 474 477 480 483 486 489
     492 495 498 501 504 507 510 513 516 519
     522 525 528 531 534 537 540 543 546 549
     552 555 558 561 564 567 570 573 576 579
     582 585 588 591 594 597 600 603 606 609
     612 615 618 621 624 627 630 633 636 639
     642 645 648 651 654 657 660 663 666 669
     672 675 678 681 684 687 690 693 696 699
     702 705 708 711 714 717 720 723 726 729
     732 735 738 741 744 747 750 753 756 759
     762 765 768 771 774 777 780 783 786 789
     792 795 798 801 804 807 810 813 816 819
     822 825 828 831 834 837 840 843 846 849
     852 855 858 861 864 867 870 873 876 879
     882 885 888 891 894 897 900 903 906 909
     912 915 918 921 924 927 930 933 936 939
     942 945 948 951 954 957 960 963 966 969
     972 975 978 981 984 987 990 993 996 999
    1002 1005 1008 1011 1014 1017 1020 1023 1026 1029
    1032 1035 1038 1041 1044 1047 1050 1053 1056 1059
    1062 1065 1068 1071 1074 1077 1080 1083 1086 1089
    1092 1095 1098 1101 1104 1107 1110 1113 1116 1119
    1122 1125 1128 1131 1134 1137 1140 1143 1146 1149
    1152 1155 1158 1161 1164 1167 1170 1173 1176 1179
    1182 1185 1188 1191 1194 1197 1200 1203 1206 1209
    1212 1215 1218 1221 1224 1227 1230 1233 1236 1239
    1242 1245 1248 1251 1254 1257 1260 1263 1266 1269
    1272 1275 1278 1281 1284 1287 1290 1293 1296 1299
    1302 1305 1308 1311 1314 1317 1320 1323 1326 1329
    1332 1335 1338 1341 1344 1347 1350 1353 1356 1359
    1362 1365 1368 1371 1374 1377 1380 1383 1386 1389
    1392 1395 1398 1401 1404 1407 1410 1413 1416 1419
    1422 1425 1428 1431 1434 1437 1440 1443 1446 1449
    1452 1455 1458 1461 1464 1467 1470 1473 1476 1479
    1482 1485 1488 1491 1494 1497 1500 1503 1506 1509
    1512 1515 1518 1521 1524 1527 1530 1533 1536 1539
    1542 1545 1548 1551 1554 1557 1560 1563 1566 1569
    1572 1575 1578 1581 1584 1587 1590 1593 1596 1599
    1602 1605 1608
%FLAG BOND_FORCE_CONSTANT
%FORMAT(5E16.8)
  3.50000000E+02 3.40000000E+02 2.10000000E+02 3.10000000E+02 5.53000000E+02
  5.53000000E+02
%FLAG BOND_EQUIL_VALUE
%FORMAT(5E16.8)
  1.09000000E+00 1.09000000E+00 1.53300000E+00 1.52600000E+00 9.57200000E-01
  1.51360000E+00
%FLAG ANGLE_FORCE_CONSTANT
%FORMAT(5E16.8)
  5.00000000E+01 5.00000000E+01 4.00000000E+01 4.00000000E+01 3.70000000E+01
  3.50000000E+01
%FLAG ANGLE_EQUIL_VALUE
%FORMAT(5E16.8)
  1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00
  1.91113635E+00
%FLAG DIHEDRAL_FORCE_CONSTANT
%FORMAT(5E16.8)
  1.60000000E-01 1.50000000E-01
%FLAG DIHEDRAL_PERIODICITY
%FORMAT(5E16.8)
  3.00000000E+00 3.00000000E+00
%FLAG DIHEDRAL_PHASE
%FORMAT(5E16.8)
  0.00000000E+00 0.00000000E+00
%FLAG SOLTY
%FORMAT(5E16.8)
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
  0.00000000E+00
%FLAG LENNARD_JONES_ACOEF
%FORMAT(5E16.8)
  1.04308023E+06 9.71708117E+04 7.51607703E+03 4.82803722E+04 3.16388558E+03
  1.14402836E+03 7.85890042E+05 6.91773368E+04 3.26945066E+04 5.81935564E+05
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
%FLAG LENNARD_JONES_BCOEF
%FORMAT(5E16.8)
  6.75612247E+02 1.26919150E+02 2.17257828E+01 1.09859264E+02 1.73094133E+01
  1.27815199E+01 6.36687196E+02 1.16264660E+02 9.81511382E+01 5.94825035E+02
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
%FLAG BONDS_INC_HYDROGEN
%FORMAT(10I8)
      45 42 5 48 42 5 48 45 6 54
      51 5 57 51 5 57 54 6 63 60
       5 66 60 5 66 63 6 72 69 5
      75 69 5 75 72 6 81 78 5 84
      78 5 84 81 6 90 87 5 93 87
       5 93 90 6 99 96 5 102 96 5
     102 99 6 108 105 5 111 105 5 111
     108 6 117 114 5 120 114 5 120 117
       6 126 123 5 129 123 5 129 126 6
     135 132 5 138 132 5 138 135 6 144
     141 5 147 141 5 147 144 6 153 150
       5 156 150 5 156 153 6 162 159 5
     165 159 5 165 162 6 171 168 5 174
     168 5 174 171 6 180 177 5 183 177
       5 183 180 6 189 186 5 192 186 5
     192 189 6 198 195 5 201 195 5 201
     198 6 207 204 5 210 204 5 210 207
       6 216 213 5 219 213 5 219 216 6
     225 222 5 228 222 5 228 225 6 234
     231 5 237 231 5 237 234 6 243 240
       5 246 240 5 246 243 6 252 249 5
     255 249 5 255 252 6 261 258 5 264
     258 5 264 261 6 270 267 5 273 267
       5 273 270 6 279 276 5 282 276 5
     282 279 6 288 285 5 291 285 5 291
     288 6 297 294 5 300 294 5 300 297
       6 306 303 5 309 303 5 309 306 6
     315 312 5 318 312 5 318 315 6 324
     321 5 327 321 5 327 324 6 333 330
       5 336 330 5 336 333 6 342 339 5
     345 339 5 345 342 6 351 348 5 354
     348 5 354 351 6 360 357 5 363 357
       5 363 360 6 369 366 5 372 366 5
     372 369 6 378 375 5 381 375 5 381
     378 6 387 384 5 390 384 5 390 387
       6 396 393 5 399 393 5 399 396 6
     405 402 5 408 402 5 408 405 6 414
     411 5 417 411 5 417 414 6 423 420
       5 426 420 5 426 423 6 432 429 5
     435 429 5 435 432 6 441 438 5 444
     438 5 444 441 6 450 447 5 453 447
       5 453 450 6 459 456 5 462 456 5
     462 459 6 468 465 5 471 465 5 471
     468 6 477 474 5 480 474 5 480 477
       6 486 483 5 489 483 5 489 486 6
     495 492 5 498 492 5 498 495 6 504
     501 5 507 501 5 507 504 6 513 510
       5 516 510 5 516 513 6 522 519 5
     525 519 5 525 522 6 531 528 5 534
     528 5 534 531 6 540 537 5 543 537
       5 543 540 6 549 546 5 552 546 5
     552 549 6 558 555 5 561 555 5 561
     558 6 567 564 5 570 564 5 570 567
       6 576 573 5 579 573 5 579 576 6
     585 582 5 588 582 5 588 585 6 594
     591 5 597 591 5 597 594 6 603 600
       5 606 600 5 606 603 6 612 609 5
     615 609 5 615 612 6 621 618 5 624
     618 5 624 621 6 630 627 5 633 627
       5 633 630 6 639 636 5 642 636 5
     642 639 6 648 645 5 651 645 5 651
     648 6 657 654 5 660 654 5 660 657
       6 666 663 5 669 663 5 669 666 6
     675 672 5 678 672 5 678 675 6 684
     681 5 687 681 5 687 684 6 693 690
       5 696 690 5 696 693 6 702 699 5
     705 699 5 705 702 6 711 708 5 714
     708 5 714 711 6 720 717 5 723 717
       5 723 720 6 729 726 5 732 726 5
     732 729 6 738 735 5 741 735 5 741
     738 6 747 744 5 750 744 5 750 747
       6 756 753 5 759 753 5 759 756 6
     765 762 5 768 762 5 768 765 6 774
     771 5 777 771 5 777 774 6 783 780
       5 786 780 5 786 783 6 792 789 5
     795 789 5 795 792 6 801 798 5 804
     798 5 804 801 6 810 807 5 813 807
       5 813 810 6 819 816 5 822 816 5
     822 819 6 828 825 5 831 825 5 831
     828 6 837 834 5 840 834 5 840 837
       6 846 843 5 849 843 5 849 846 6
     855 852 5 858 852 5 858 855 6 864
     861 5 867 861 5 867 864 6 873 870
       5 876 870 5 876 873 6 882 879 5
     885 879 5 885 882 6 891 888 5 894
     888 5 894 891 6 900 897 5 903 897
       5 903 900 6 909 906 5 912 906 5
     912 909 6 918 915 5 921 915 5 921
     918 6 927 924 5 930 924 5 930 927
       6 936 933 5 939 933 5 939 936 6
     945 942 5 948 942 5 948 945 6 954
     951 5 957 951 5 957 954 6 963 960
       5 966 960 5 966 963 6 972 969 5
     975 969 5 975 972 6 981 978 5 984
     978 5 984 981 6 990 987 5 993 987
       5 993 990 6 999 996 5 1002 996 5
    1002 999 6 1008 1005 5 1011 1005 5 1011
    1008 6 1017 1014 5 1020 1014 5 1020 1017
       6 1026 1023 5 1029 1023 5 1029 1026 6
    1035 1032 5 1038 1032 5 1038 1035 6 1044
    1041 5 1047 1041 5 1047 1044 6 1053 1050
       5 1056 1050 5 1056 1053 6 1062 1059 5
    1065 1059 5 1065 1062 6 1071 1068 5 1074
    1068 5 1074 1071 6 1080 1077 5 1083 1077
       5 1083 1080 6 1089 1086 5 1092 1086 5
    1092 1089 6 1098 1095 5 1101 1095 5 1101
    1098 6 1107 1104 5 1110 1104 5 1110 1107
       6 1116 1113 5 1119 1113 5 1119 1116 6
    1125 1122 5 1128 1122 5 1128 1125 6 1134
    1131 5 1137 1131 5 1137 1134 6 1143 1140
       5 1146 1140 5 1146 1143 6 1152 1149 5
    1155 1149 5 1155 1152 6 1161 1158 5 1164
    1158 5 1164 1161 6 1170 1167 5 1173 1167
       5 1173 1170 6 1179 1176 5 1182 1176 5
    1182 1179 6 1188 1185 5 1191 1185 5 1191
    1188 6 1197 1194 5 1200 1194 5 1200 1197
       6 1206 1203 5 1209 1203 5 1209 1206 6
    1215 1212 5 1218 1212 5 1218 1215 6 1224
    1221 5 1227 1221 5 1227 1224 6 1233 1230
       5 1236 1230 5 1236 1233 6 1242 1239 5
    1245 1239 5 1245 1242 6 1251 1248 5 1254
    1248 5 1254 1251 6 1260 1257 5 1263 1257
       5 1263 1260 6 1269 1266 5 1272 1266 5
    1272 1269 6 1278 1275 5 1281 1275 5 1281
    1278 6 1287 1284 5 1290 1284 5 1290 1287
       6 1296 1293 5 1299 1293 5 1299 1296 6
    1305 1302 5 1308 1302 5 1308 1305 6 1314
    1311 5 1317 1311 5 1317 1314 6 1323 1320
       5 1326 1320 5 1326 1323 6 1332 1329 5
    1335 1329 5 1335 1332 6 1341 1338 5 1344
    1338 5 1344 1341 6 1350 1347 5 1353 1347
       5 1353 1350 6 1359 1356 5 1362 1356 5
    1362 1359 6 1368 1365 5 1371 1365 5 1371
    1368 6 1377 1374 5 1380 1374 5 1380 1377
       6 1386 1383 5 1389 1383 5 1389 1386 6
    1395 1392 5 1398 1392 5 1398 1395 6 1404
    1401 5 1407 1401 5 1407 1404 6 1413 1410
       5 1416 1410 5 1416 1413 6 1422 1419 5
    1425 1419 5 1425 1422 6 1431 1428 5 1434
    1428 5 1434 1431 6 1440 1437 5 1443 1437
       5 1443 1440 6 1449 1446 5 1452 1446 5
    1452 1449 6 1458 1455 5 1461 1455 5 1461
    1458 6 1467 1464 5 1470 1464 5 1470 1467
       6 1476 1473 5 1479 1473 5 1479 1476 6
    1485 1482 5 1488 1482 5 1488 1485 6 1494
    1491 5 1497 1491 5 1497 1494 6 1503 1500
       5 1506 1500 5 1506 1503 6 1512 1509 5
    1515 1509 5 1515 1512 6 1521 1518 5 1524
    1518 5 1524 1521 6 1530 1527 5 1533 1527
       5 1533 1530 6 1539 1536 5 1542 1536 5
    1542 1539 6 1548 1545 5 1551 1545 5 1551
    1548 6 1557 1554 5 1560 1554 5 1560 1557
       6 1566 1563 5 1569 1563 5 1569 1566 6
    1575 1572 5 1578 1572 5 1578 1575 6 1584
    1581 5 1587 1581 5 1587 1584 6 1593 1590
       5 1596 1590 5 1596 1593 6 1602 1599 5
    1605 1599 5 1605 1602 6 1611 1608 5 1614
    1608 5 1614 1611 6 1620 1617 5 1623 1617
       5 1623 1620 6 1629 1626 5 1632 1626 5
    1632 1629 6 1638 1635 5 1641 1635 5 1641
    1638 6 1647 1644 5 1650 1644 5 1650 1647
       6 1656 1653 5 1659 1653 5 1659 1656 6
    1665 1662 5 1668 1662 5 1668 1665 6 1674
    1671 5 1677 1671 5 1677 1674 6 1683 1680
       5 1686 1680 5 1686 1683 6 1692 1689 5
    1695 1689 5 1695 1692 6 1701 1698 5 1704
    1698 5 1704 1701 6 1710 1707 5 1713 1707
       5 1713 1710 6 1719 1716 5 1722 1716 5
    1722 1719 6 1728 1725 5 1731 1725 5 1731
    1728 6 1737 1734 5 1740 1734 5 1740 1737
       6 1746 1743 5 1749 1743 5 1749 1746 6
    1755 1752 5 1758 1752 5 1758 1755 6 1764
    1761 5 1767 1761 5 1767 1764 6 1773 1770
       5 1776 1770 5 1776 1773 6 1782 1779 5
    1785 1779 5 1785 1782 6 1791 1788 5 1794
    1788 5 1794 1791 6 1800 1797 5 1803 1797
       5 1803 1800 6 1809 1806 5 1812 1806 5
    1812 1809 6 1818 1815 5 1821 1815 5 1821
    1818 6 1827 1824 5 1830 1824 5 1830 1827
       6 1836 1833 5 1839 1833 5 1839 1836 6
    1845 1842 5 1848 1842 5 1848 1845 6 1854
    1851 5 1857 1851 5 1857 1854 6 1863 1860
       5 1866 1860 5 1866 1863 6 1872 1869 5
    1875 1869 5 1875 1872 6 1881 1878 5 1884
    1878 5 1884 1881 6 1890 1887 5 1893 1887
       5 1893 1890 6 1899 1896 5 1902 1896 5
    1902 1899 6 1908 1905 5 1911 1905 5 1911
    1908 6 1917 1914 5 1920 1914 5 1920 1917
       6 1926 1923 5 1929 1923 5 1929 1926 6
    1935 1932 5 1938 1932 5 1938 1935 6 1944
    1941 5 1947 1941 5 1947 1944 6 1953 1950
       5 1956 1950 5 1956 1953 6 1962 1959 5
    1965 1959 5 1965 1962 6 1971 1968 5 1974
    1968 5 1974 1971 6 1980 1977 5 1983 1977
       5 1983 1980 6 1989 1986 5 1992 1986 5
    1992 1989 6 1998 1995 5 2001 1995 5 2001
    1998 6 2007 2004 5 2010 2004 5 2010 2007
       6 2016 2013 5 2019 2013 5 2019 2016 6
    2025 2022 5 2028 2022 5 2028 2025 6 2034
    2031 5 2037 2031 5 2037 2034 6 2043 2040
       5 2046 2040 5 2046 2043 6 2052 2049 5
    2055 2049 5 2055 2052 6 2061 2058 5 2064
    2058 5 2064 2061 6 2070 2067 5 2073 2067
       5 2073 2070 6 2079 2076 5 2082 2076 5
    2082 2079 6 2088 2085 5 2091 2085 5 2091
    2088 6 2097 2094 5 2100 2094 5 2100 2097
       6 2106 2103 5 2109 2103 5 2109 2106 6
    2115 2112 5 2118 2112 5 2118 2115 6 2124
    2121 5 2127 2121 5 2127 2124 6 2133 2130
       5 2136 2130 5 2136 2133 6 2142 2139 5
    2145 2139 5 2145 2142 6 2151 2148 5 2154
    2148 5 2154 2151 6 2160 2157 5 2163 2157
       5 2163 2160 6 2169 2166 5 2172 2166 5
    2172 2169 6 2178 2175 5 2181 2175 5 2181
    2178 6 2187 2184 5 2190 2184 5 2190 2187
       6 2196 2193 5 2199 2193 5 2199 2196 6
    2205 2202 5 2208 2202 5 2208 2205 6 2214
    2211 5 2217 2211 5 2217 2214 6 2223 2220
       5 2226 2220 5 2226 2223 6 2232 2229 5
    2235 2229 5 2235 2232 6 2241 2238 5 2244
    2238 5 2244 2241 6 2250 2247 5 2253 2247
       5 2253 2250 6 2259 2256 5 2262 2256 5
    2262 2259 6 2268 2265 5 2271 2265 5 2271
    2268 6 2277 2274 5 2280 2274 5 2280 2277
       6 2286 2283 5 2289 2283 5 2289 2286 6
    2295 2292 5 2298 2292 5 2298 2295 6 2304
    2301 5 2307 2301 5 2307 2304 6 2313 2310
       5 2316 2310 5 2316 2313 6 2322 2319 5
    2325 2319 5 2325 2322 6 2331 2328 5 2334
    2328 5 2334 2331 6 2340 2337 5 2343 2337
       5 2343 2340 6 2349 2346 5 2352 2346 5
    2352 2349 6 2358 2355 5 2361 2355 5 2361
    2358 6 2367 2364 5 2370 2364 5 2370 2367
       6 2376 2373 5 2379 2373 5 2379 2376 6
    2385 2382 5 2388 2382 5 2388 2385 6 2394
    2391 5 2397 2391 5 2397 2394 6 2403 2400
       5 2406 2400 5 2406 2403 6 2412 2409 5
    2415 2409 5 2415 2412 6 2421 2418 5 2424
    2418 5 2424 2421 6 2430 2427 5 2433 2427
       5 2433 2430 6 2439 2436 5 2442 2436 5
    2442 2439 6 2448 2445 5 2451 2445 5 2451
    2448 6 2457 2454 5 2460 2454 5 2460 2457
       6 2466 2463 5 2469 2463 5 2469 2466 6
    2475 2472 5 2478 2472 5 2478 2475 6 2484
    2481 5 2487 2481 5 2487 2484 6 2493 2490
       5 2496 2490 5 2496 2493 6 2502 2499 5
    2505 2499 5 2505 2502 6 2511 2508 5 2514
    2508 5 2514 2511 6 2520 2517 5 2523 2517
       5 2523 2520 6 2529 2526 5 2532 2526 5
    2532 2529 6 2538 2535 5 2541 2535 5 2541
    2538 6 2547 2544 5 2550 2544 5 2550 2547
       6 2556 2553 5 2559 2553 5 2559 2556 6
    2565 2562 5 2568 2562 5 2568 2565 6 2574
    2571 5 2577 2571 5 2577 2574 6 2583 2580
       5 2586 2580 5 2586 2583 6 2592 2589 5
    2595 2589 5 2595 2592 6 2601 2598 5 2604
    2598 5 2604 2601 6 2610 2607 5 2613 2607
       5 2613 2610 6 2619 2616 5 2622 2616 5
    2622 2619 6 2628 2625 5 2631 2625 5 2631
    2628 6 2637 2634 5 2640 2634 5 2640 2637
       6 2646 2643 5 2649 2643 5 2649 2646 6
    2655 2652 5 2658 2652 5 2658 2655 6 2664
    2661 5 2667 2661 5 2667 2664 6 2673 2670
       5 2676 2670 5 2676 2673 6 2682 2679 5
    2685 2679 5 2685 2682 6 2691 2688 5 2694
    2688 5 2694 2691 6 2700 2697 5 2703 2697
       5 2703 2700 6 2709 2706 5 2712 2706 5
    2712 2709 6 2718 2715 5 2721 2715 5 2721
    2718 6 2727 2724 5 2730 2724 5 2730 2727
       6 2736 2733 5 2739 2733 5 2739 2736 6
    2745 2742 5 2748 2742 5 2748 2745 6 2754
    2751 5 2757 2751 5 2757 2754 6 2763 2760
       5 2766 2760 5 2766 2763 6 2772 2769 5
    2775 2769 5 2775 2772 6 2781 2778 5 2784
    2778 5 2784 2781 6 2790 2787 5 2793 2787
       5 2793 2790 6 2799 2796 5 2802 2796 5
    2802 2799 6 2808 2805 5 2811 2805 5 2811
    2808 6 2817 2814 5 2820 2814 5 2820 2817
       6 2826 2823 5 2829 2823 5 2829 2826 6
    2835 2832 5 2838 2832 5 2838 2835 6 2844
    2841 5 2847 2841 5 2847 2844 6 2853 2850
       5 2856 2850 5 2856 2853 6 2862 2859 5
    2865 2859 5 2865 2862 6 2871 2868 5 2874
    2868 5 2874 2871 6 2880 2877 5 2883 2877
       5 2883 2880 6 2889 2886 5 2892 2886 5
    2892 2889 6 2898 2895 5 2901 2895 5 2901
    2898 6 2907 2904 5 2910 2904 5 2910 2907
       6 2916 2913 5 2919 2913 5 2919 2916 6
    2925 2922 5 2928 2922 5 2928 2925 6 2934
    2931 5 2937 2931 5 2937 2934 6 2943 2940
       5 2946 2940 5 2946 2943 6 2952 2949 5
    2955 2949 5 2955 2952 6 2961 2958 5 2964
    2958 5 2964 2961 6 2970 2967 5 2973 2967
       5 2973 2970 6 2979 2976 5 2982 2976 5
    2982 2979 6 2988 2985 5 2991 2985 5 2991
    2988 6 2997 2994 5 3000 2994 5 3000 2997
       6 3006 3003 5 3009 3003 5 3009 3006 6
    3015 3012 5 3018 3012 5 3018 3015 6 3024
    3021 5 3027 3021 5 3027 3024 6 3033 3030
       5 3036 3030 5 3036 3033 6 3042 3039 5
    3045 3039 5 3045 3042 6 3051 3048 5 3054
    3048 5 3054 3051 6 3060 3057 5 3063 3057
       5 3063 3060 6 3069 3066 5 3072 3066 5
    3072 3069 6 3078 3075 5 3081 3075 5 3081
    3078 6 3087 3084 5 3090 3084 5 3090 3087
       6 3096 3093 5 3099 3093 5 3099 3096 6
    3105 3102 5 3108 3102 5 3108 3105 6 3114
    3111 5 3117 3111 5 3117 3114 6 3123 3120
       5 3126 3120 5 3126 3123 6 3132 3129 5
    3135 3129 5 3135 3132 6 3141 3138 5 3144
    3138 5 3144 3141 6 3150 3147 5 3153 3147
       5 3153 3150 6 3159 3156 5 3162 3156 5
    3162 3159 6 3168 3165 5 3171 3165 5 3171
    3168 6 3177 3174 5 3180 3174 5 3180 3177
       6 3186 3183 5 3189 3183 5 3189 3186 6
    3195 3192 5 3198 3192 5 3198 3195 6 3204
    3201 5 3207 3201 5 3207 3204 6 3213 3210
       5 3216 3210 5 3216 3213 6 3222 3219 5
    3225 3219 5 3225 3222 6 3231 3228 5 3234
    3228 5 3234 3231 6 3240 3237 5 3243 3237
       5 3243 3240 6 3249 3246 5 3252 3246 5
    3252 3249 6 3258 3255 5 3261 3255 5 3261
    3258 6 3267 3264 5 3270 3264 5 3270 3267
       6 3276 3273 5 3279 3273 5 3279 3276 6
    3285 3282 5 3288 3282 5 3288 3285 6 3294
    3291 5 3297 3291 5 3297 3294 6 3303 3300
       5 3306 3300 5 3306 3303 6 3312 3309 5
    3315 3309 5 3315 3312 6 3321 3318 5 3324
    3318 5 3324 3321 6 3330 3327 5 3333 3327
       5 3333 3330 6 3339 3336 5 3342 3336 5
    3342 3339 6 3348 3345 5 3351 3345 5 3351
    3348 6 3357 3354 5 3360 3354 5 3360 3357
       6 3366 3363 5 3369 3363 5 3369 3366 6
    3375 3372 5 3378 3372 5 3378 3375 6 3384
    3381 5 3387 3381 5 3387 3384 6 3393 3390
       5 3396 3390 5 3396 3393 6 3402 3399 5
    3405 3399 5 3405 3402 6 3411 3408 5 3414
    3408 5 3414 3411 6 3420 3417 5 3423 3417
       5 3423 3420 6 3429 3426 5 3432 3426 5
    3432 3429 6 3438 3435 5 3441 3435 5 3441
    3438 6 3447 3444 5 3450 3444 5 3450 3447
       6 3456 3453 5 3459 3453 5 3459 3456 6
    3465 3462 5 3468 3462 5 3468 3465 6 3474
    3471 5 3477 3471 5 3477 3474 6 3483 3480
       5 3486 3480 5 3486 3483 6 3492 3489 5
    3495 3489 5 3495 3492 6 3501 3498 5 3504
    3498 5 3504 3501 6 3510 3507 5 3513 3507
       5 3513 3510 6 3519 3516 5 3522 3516 5
    3522 3519 6 3528 3525 5 3531 3525 5 3531
    3528 6 3537 3534 5 3540 3534 5 3540 3537
       6 3546 3543 5 3549 3543 5 3549 3546 6
    3555 3552 5 3558 3552 5 3558 3555 6 3564
    3561 5 3567 3561 5 3567 3564 6 3573 3570
       5 3576 3570 5 3576 3573 6 3582 3579 5
    3585 3579 5 3585 3582 6 3591 3588 5 3594
    3588 5 3594 3591 6 3600 3597 5 3603 3597
       5 3603 3600 6 3609 3606 5 3612 3606 5
    3612 3609 6 3618 3615 5 3621 3615 5 3621
    3618 6 3627 3624 5 3630 3624 5 3630 3627
       6 3636 3633 5 3639 3633 5 3639 3636 6
    3645 3642 5 3648 3642 5 3648 3645 6 3654
    3651 5 3657 3651 5 3657 3654 6 3663 3660
       5 3666 3660 5 3666 3663 6 3672 3669 5
    3675 3669 5 3675 3672 6 3681 3678 5 3684
    3678 5 3684 3681 6 3690 3687 5 3693 3687
       5 3693 3690 6 3699 3696 5 3702 3696 5
    3702 3699 6 3708 3705 5 3711 3705 5 3711
    3708 6 3717 3714 5 3720 3714 5 3720 3717
       6 3726 3723 5 3729 3723 5 3729 3726 6
    3735 3732 5 3738 3732 5 3738 3735 6 3744
    3741 5 3747 3741 5 3747 3744 6 3753 3750
       5 3756 3750 5 3756 3753 6 3762 3759 5
    3765 3759 5 3765 3762 6 3771 3768 5 3774
    3768 5 3774 3771 6 3780 3777 5 3783 3777
       5 3783 3780 6 3789 3786 5 3792 3786 5
    3792 3789 6 3798 3795 5 3801 3795 5 3801
    3798 6 3807 3804 5 3810 3804 5 3810 3807
       6 3816 3813 5 3819 3813 5 3819 3816 6
    3825 3822 5 3828 3822 5 3828 3825 6 3834
    3831 5 3837 3831 5 3837 3834 6 3843 3840
       5 3846 3840 5 3846 3843 6 3852 3849 5
    3855 3849 5 3855 3852 6 3861 3858 5 3864
    3858 5 3864 3861 6 3870 3867 5 3873 3867
       5 3873 3870 6 3879 3876 5 3882 3876 5
    3882 3879 6 3888 3885 5 3891 3885 5 3891
    3888 6 3897 3894 5 3900 3894 5 3900 3897
       6 3906 3903 5 3909 3903 5 3909 3906 6
    3915 3912 5 3918 3912 5 3918 3915 6 3924
    3921 5 3927 3921 5 3927 3924 6 3933 3930
       5 3936 3930 5 3936 3933 6 3942 3939 5
    3945 3939 5 3945 3942 6 3951 3948 5 3954
    3948 5 3954 3951 6 3960 3957 5 3963 3957
       5 3963 3960 6 3969 3966 5 3972 3966 5
    3972 3969 6 3978 3975 5 3981 3975 5 3981
    3978 6 3987 3984 5 3990 3984 5 3990 3987
       6 3996 3993 5 3999 3993 5 3999 3996 6
    4005 4002 5 4008 4002 5 4008 4005 6 4014
    4011 5 4017 4011 5 4017 4014 6 4023 4020
       5 4026 4020 5 4026 4023 6 4032 4029 5
    4035 4029 5 4035 4032 6 4041 4038 5 4044
    4038 5 4044 4041 6 4050 4047 5 4053 4047
       5 4053 4050 6 4059 4056 5 4062 4056 5
    4062 4059 6 4068 4065 5 4071 4065 5 4071
    4068 6 4077 4074 5 4080 4074 5 4080 4077
       6 4086 4083 5 4089 4083 5 4089 4086 6
    4095 4092 5 4098 4092 5 4098 4095 6 4104
    4101 5 4107 4101 5 4107 4104 6 4113 4110
       5 4116 4110 5 4116 4113 6 4122 4119 5
    4125 4119 5 4125 4122 6 4131 4128 5 4134
    4128 5 4134 4131 6 4140 4137 5 4143 4137
       5 4143 4140 6 4149 4146 5 4152 4146 5
    4152 4149 6 4158 4155 5 4161 4155 5 4161
    4158 6 4167 4164 5 4170 4164 5 4170 4167
       6 4176 4173 5 4179 4173 5 4179 4176 6
    4185 4182 5 4188 4182 5 4188 4185 6 4194
    4191 5 4197 4191 5 4197 4194 6 4203 4200
       5 4206 4200 5 4206 4203 6 4212 4209 5
    4215 4209 5 4215 4212 6 4221 4218 5 4224
    4218 5 4224 4221 6 4230 4227 5 4233 4227
       5 4233 4230 6 4239 4236 5 4242 4236 5
    4242 4239 6 4248 4245 5 4251 4245 5 4251
    4248 6 4257 4254 5 4260 4254 5 4260 4257
       6 4266 4263 5 4269 4263 5 4269 4266 6
    4275 4272 5 4278 4272 5 4278 4275 6 4284
    4281 5 4287 4281 5 4287 4284 6 4293 4290
       5 4296 4290 5 4296 4293 6 4302 4299 5
    4305 4299 5 4305 4302 6 4311 4308 5 4314
    4308 5 4314 4311 6 4320 4317 5 4323 4317
       5 4323 4320 6 4329 4326 5 4332 4326 5
    4332 4329 6 4338 4335 5 4341 4335 5 4341
    4338 6 4347 4344 5 4350 4344 5 4350 4347
       6 4356 4353 5 4359 4353 5 4359 4356 6
    4365 4362 5 4368 4362 5 4368 4365 6 4374
    4371 5 4377 4371 5 4377 4374 6 4383 4380
       5 4386 4380 5 4386 4383 6 4392 4389 5
    4395 4389 5 4395 4392 6 4401 4398 5 4404
    4398 5 4404 4401 6 4410 4407 5 4413 4407
       5 4413 4410 6 4419 4416 5 4422 4416 5
    4422 4419 6 4428 4425 5 4431 4425 5 4431
    4428 6 4437 4434 5 4440 4434 5 4440 4437
       6 4446 4443 5 4449 4443 5 4449 4446 6
    4455 4452 5 4458 4452 5 4458 4455 6 4464
    4461 5 4467 4461 5 4467 4464 6 4473 4470
       5 4476 4470 5 4476 4473 6 4482 4479 5
    4485 4479 5 4485 4482 6 4491 4488 5 4494
    4488 5 4494 4491 6 4500 4497 5 4503 4497
       5 4503 4500 6 4509 4506 5 4512 4506 5
    4512 4509 6 4518 4515 5 4521 4515 5 4521
    4518 6 4527 4524 5 4530 4524 5 4530 4527
       6 4536 4533 5 4539 4533 5 4539 4536 6
    4545 4542 5 4548 4542 5 4548 4545 6 4554
    4551 5 4557 4551 5 4557 4554 6 4563 4560
       5 4566 4560 5 4566 4563 6 4572 4569 5
    4575 4569 5 4575 4572 6 4581 4578 5 4584
    4578 5 4584 4581 6 4590 4587 5 4593 4587
       5 4593 4590 6 4599 4596 5 4602 4596 5
    4602 4599 6 4608 4605 5 4611 4605 5 4611
    4608 6 4617 4614 5 4620 4614 5 4620 4617
       6 4626 4623 5 4629 4623 5 4629 4626 6
    4635 4632 5 4638 4632 5 4638 4635 6 4644
    4641 5 4647 4641 5 4647 4644 6 4653 4650
       5 4656 4650 5 4656 4653 6 4662 4659 5
    4665 4659 5 4665 4662 6 4671 4668 5 4674
    4668 5 4674 4671 6 4680 4677 5 4683 4677
       5 4683 4680 6 4689 4686 5 4692 4686 5
    4692 4689 6 4698 4695 5 4701 4695 5 4701
    4698 6 4707 4704 5 4710 4704 5 4710 4707
       6 4716 4713 5 4719 4713 5 4719 4716 6
    4725 4722 5 4728 4722 5 4728 4725 6 4734
    4731 5 4737 4731 5 4737 4734 6 4743 4740
       5 4746 4740 5 4746 4743 6 4752 4749 5
    4755 4749 5 4755 4752 6 4761 4758 5 4764
    4758 5 4764 4761 6 4770 4767 5 4773 4767
       5 4773 4770 6 4779 4776 5 4782 4776 5
    4782 4779 6 4788 4785 5 4791 4785 5 4791
    4788 6 4797 4794 5 4800 4794 5 4800 4797
       6 4806 4803 5 4809 4803 5 4809 4806 6
    4815 4812 5 4818 4812 5 4818 4815 6 4824
    4821 5 4827 4821 5 4827 4824 6
%FLAG BONDS_WITHOUT_HYDROGEN
%FORMAT(10I8)

%FLAG ANGLES_INC_HYDROGEN
%FORMAT(10I8)

%FLAG ANGLES_WITHOUT_HYDROGEN
%FORMAT(10I8)

%FLAG DIHEDRALS_INC_HYDROGEN
%FORMAT(10I8)

%FLAG DIHEDRALS_WITHOUT_HYDROGEN
%FORMAT(10I8)

%FLAG EXCLUDED_ATOMS_LIST
%FORMAT(10I8)
       2 3 4 5 6 7 8 9 10 11
      12 13 14 3 4 5 6 10 14 4
       5 6 10 14 5 6 7 8 9 10
      11 12 13 14 6 7 8 9 10 11
      12 13 14 7 8 9 10 11 12 13
      14 8 9 10 9 10 10 11 12 13
      14 12 13 13 0 0 16 17 17 0
      19 20 20 0 22 23 23 0 25 26
      26 0 28 29 29 0 31 32 32 0
      34 35 35 0 37 38 38 0 40 41
      41 0 43 44 44 0 46 47 47 0
      49 50 50 0 52 53 53 0 55 56
      56 0 58 59 59 0 61 62 62 0
      64 65 65 0 67 68 68 0 70 71
      71 0 73 74 74 0 76 77 77 0
      79 80 80 0 82 83 83 0 85 86
      86 0 88 89 89 0 91 92 92 0
      94 95 95 0 97 98 98 0 100 101
     101 0 103 104 104 0 106 107 107 0
     109 110 110 0 112 113 113 0 115 116
     116 0 118 119 119 0 121 122 122 0
     124 125 125 0 127 128 128 0 130 131
     131 0 133 134 134 0 136 137 137 0
     139 140 140 0 142 143 143 0 145 146
     146 0 148 149 149 0 151 152 152 0
     154 155 155 0 157 158 158 0 160 161
     161 0 163 164 164 0 166 167 167 0
     169 170 170 0 172 173 173 0 175 176
     176 0 178 179 179 0 181 182 182 0
     184 185 185 0 187 188 188 0 190 191
     191 0 193 194 194 0 196 197 197 0
     199 200 200 0 202 203 203 0 205 206
     206 0 208 209 209 0 211 212 212 0
     214 215 215 0 217 218 218 0 220 221
     221 0 223 224 224 0 226 227 227 0
     229 230 230 0 232 233 233 0 235 236
     236 0 238 239 239 0 241 242 242 0
     244 245 245 0 247 248 248 0 250 251
     251 0 253 254 254 0 256 257 257 0
     259 260 260 0 262 263 263 0 265 266
     266 0 268 269 269 0 271 272 272 0
     274 275 275 0 277 278 278 0 280 281
     281 0 283 284 284 0 286 287 287 0
     289 290 290 0 292 293 293 0 295 296
     296 0 298 299 299 0 301 302 302 0
     304 305 305 0 307 308 308 0 310 311
     311 0 313 314 314 0 316 317 317 0
     319 320 320 0 322 323 323 0 325 326
     326 0 328 329 329 0 331 332 332 0
     334 335 335 0 337 338 338 0 340 341
     341 0 343 344 344 0 346 347 347 0
     349 350 350 0 352 353 353 0 355 356
     356 0 358 359 359 0 361 362 362 0
     364 365 365 0 367 368 368 0 370 371
     371 0 373 374 374 0 376 377 377 0
     379 380 380 0 382 383 383 0 385 386
     386 0 388 389 389 0 391 392 392 0
     394 395 395 0 397 398 398 0 400 401
     401 0 403 404 404 0 406 407 407 0
     409 410 410 0 412 413 413 0 415 416
     416 0 418 419 419 0 421 422 422 0
     424 425 425 0 427 428 428 0 430 431
     431 0 433 434 434 0 436 437 437 0
     439 440 440 0 442 443 443 0 445 446
     446 0 448 449 449 0 451 452 452 0
     454 455 455 0 457 458 458 0 460 461
     461 0 463 464 464 0 466 467 467 0
     469 470 470 0 472 473 473 0 475 476
     476 0 478 479 479 0 481 482 482 0
     484 485 485 0 487 488 488 0 490 491
     491 0 493 494 494 0 496 497 497 0
     499 500 500 0 502 503 503 0 505 506
     506 0 508 509 509 0 511 512 512 0
     514 515 515 0 517 518 518 0 520 521
     521 0 523 524 524 0 526 527 527 0
     529 530 530 0 532 533 533 0 535 536
     536 0 538 539 539 0 541 542 542 0
     544 545 545 0 547 548 548 0 550 551
     551 0 553 554 554 0 556 557 557 0
     559 560 560 0 562 563 563 0 565 566
     566 0 568 569 569 0 571 572 572 0
     574 575 575 0 577 578 578 0 580 581
     581 0 583 584 584 0 586 587 587 0
     589 590 590 0 592 593 593 0 595 596
     596 0 598 599 599 0 601 602 602 0
     604 605 605 0 607 608 608 0 610 611
     611 0 613 614 614 0 616 617 617 0
     619 620 620 0 622 623 623 0 625 626
     626 0 628 629 629 0 631 632 632 0
     634 635 635 0 637 638 638 0 640 641
     641 0 643 644 644 0 646 647 647 0
     649 650 650 0 652 653 653 0 655 656
     656 0 658 659 659 0 661 662 662 0
     664 665 665 0 667 668 668 0 670 671
     671 0 673 674 674 0 676 677 677 0
     679 680 680 0 682 683 683 0 685 686
     686 0 688 689 689 0 691 692 692 0
     694 695 695 0 697 698 698 0 700 701
     701 0 703 704 704 0 706 707 707 0
     709 710 710 0 712 713 713 0 715 716
     716 0 718 719 719 0 721 722 722 0
     724 725 725 0 727 728 728 0 730 731
     731 0 733 734 734 0 736 737 737 0
     739 740 740 0 742 743 743 0 745 746
     746 0 748 749 749 0 751 752 752 0
     754 755 755 0 757 758 758 0 760 761
     761 0 763 764 764 0 766 767 767 0
     769 770 770 0 772 773 773 0 775 776
     776 0 778 779 779 0 781 782 782 0
     784 785 785 0 787 788 788 0 790 791
     791 0 793 794 794 0 796 797 797 0
     799 800 800 0 802 803 803 0 805 806
     806 0 808 809 809 0 811 812 812 0
     814 815 815 0 817 818 818 0 820 821
     821 0 823 824 824 0 826 827 827 0
     829 830 830 0 832 833 833 0 835 836
     836 0 838 839 839 0 841 842 842 0
     844 845 845 0 847 848 848 0 850 851
     851 0 853 854 854 0 856 857 857 0
     859 860 860 0 862 863 863 0 865 866
     866 0 868 869 869 0 871 872 872 0
     874 875 875 0 877 878 878 0 880 881
     881 0 883 884 884 0 886 887 887 0
     889 890 890 0 892 893 893 0 895 896
     896 0 898 899 899 0 901 902 902 0
     904 905 905 0 907 908 908 0 910 911
     911 0 913 914 914 0 916 917 917 0
     919 920 920 0 922 923 923 0 925 926
     926 0 928 929 929 0 931 932 932 0
     934 935 935 0 937 938 938 0 940 941
     941 0 943 944 944 0 946 947 947 0
     949 950 950 0 952 953 953 0 955 956
     956 0 958 959 959 0 961 962 962 0
     964 965 965 0 967 968 968 0 970 971
     971 0 973 974 974 0 976 977 977 0
     979 980 980 0 982 983 983 0 985 986
     986 0 988 989 989 0 991 992 992 0
     994 995 995 0 997 998 998 0 1000 1001
    1001 0 1003 1004 1004 0 1006 1007 1007 0
    1009 1010 1010 0 1012 1013 1013 0 1015 1016
    1016 0 1018 1019 1019 0 1021 1022 1022 0
    1024 1025 1025 0 1027 1028 1028 0 1030 1031
    1031 0 1033 1034 1034 0 1036 1037 1037 0
    1039 1040 1040 0 1042 1043 1043 0 1045 1046
    1046 0 1048 1049 1049 0 1051 1052 1052 0
    1054 1055 1055 0 1057 1058 1058 0 1060 1061
    1061 0 1063 1064 1064 0 1066 1067 1067 0
    1069 1070 1070 0 1072 1073 1073 0 1075 1076
    1076 0 1078 1079 1079 0 1081 1082 1082 0
    1084 1085 1085 0 1087 1088 1088 0 1090 1091
    1091 0 1093 1094 1094 0 1096 1097 1097 0
    1099 1100 1100 0 1102 1103 1103 0 1105 1106
    1106 0 1108 1109 1109 0 1111 1112 1112 0
    1114 1115 1115 0 1117 1118 1118 0 1120 1121
    1121 0 1123 1124 1124 0 1126 1127 1127 0
    1129 1130 1130 0 1132 1133 1133 0 1135 1136
    1136 0 1138 1139 1139 0 1141 1142 1142 0
    1144 1145 1145 0 1147 1148 1148 0 1150 1151
    1151 0 1153 1154 1154 0 1156 1157 1157 0
    1159 1160 1160 0 1162 1163 1163 0 1165 1166
    1166 0 1168 1169 1169 0 1171 1172 1172 0
    1174 1175 1175 0 1177 1178 1178 0 1180 1181
    1181 0 1183 1184 1184 0 1186 1187 1187 0
    1189 1190 1190 0 1192 1193 1193 0 1195 1196
    1196 0 1198 1199 1199 0 1201 1202 1202 0
    1204 1205 1205 0 1207 1208 1208 0 1210 1211
    1211 0 1213 1214 1214 0 1216 1217 1217 0
    1219 1220 1220 0 1222 1223 1223 0 1225 1226
    1226 0 1228 1229 1229 0 1231 1232 1232 0
    1234 1235 1235 0 1237 1238 1238 0 1240 1241
    1241 0 1243 1244 1244 0 1246 1247 1247 0
    1249 1250 1250 0 1252 1253 1253 0 1255 1256
    1256 0 1258 1259 1259 0 1261 1262 1262 0
    1264 1265 1265 0 1267 1268 1268 0 1270 1271
    1271 0 1273 1274 1274 0 1276 1277 1277 0
    1279 1280 1280 0 1282 1283 1283 0 1285 1286
    1286 0 1288 1289 1289 0 1291 1292 1292 0
    1294 1295 1295 0 1297 1298 1298 0 1300 1301
    1301 0 1303 1304 1304 0 1306 1307 1307 0
    1309 1310 1310 0 1312 1313 1313 0 1315 1316
    1316 0 1318 1319 1319 0 1321 1322 1322 0
    1324 1325 1325 0 1327 1328 1328 0 1330 1331
    1331 0 1333 1334 1334 0 1336 1337 1337 0
    1339 1340 1340 0 1342 1343 1343 0 1345 1346
    1346 0 1348 1349 1349 0 1351 1352 1352 0
    1354 1355 1355 0 1357 1358 1358 0 1360 1361
    1361 0 1363 1364 1364 0 1366 1367 1367 0
    1369 1370 1370 0 1372 1373 1373 0 1375 1376
    1376 0 1378 1379 1379 0 1381 1382 1382 0
    1384 1385 1385 0 1387 1388 1388 0 1390 1391
    1391 0 1393 1394 1394 0 1396 1397 1397 0
    1399 1400 1400 0 1402 1403 1403 0 1405 1406
    1406 0 1408 1409 1409 0 1411 1412 1412 0
    1414 1415 1415 0 1417 1418 1418 0 1420 1421
    1421 0 1423 1424 1424 0 1426 1427 1427 0
    1429 1430 1430 0 1432 1433 1433 0 1435 1436
    1436 0 1438 1439 1439 0 1441 1442 1442 0
    1444 1445 1445 0 1447 1448 1448 0 1450 1451
    1451 0 1453 1454 1454 0 1456 1457 1457 0
    1459 1460 1460 0 1462 1463 1463 0 1465 1466
    1466 0 1468 1469 1469 0 1471 1472 1472 0
    1474 1475 1475 0 1477 1478 1478 0 1480 1481
    1481 0 1483 1484 1484 0 1486 1487 1487 0
    1489 1490 1490 0 1492 1493 1493 0 1495 1496
    1496 0 1498 1499 1499 0 1501 1502 1502 0
    1504 1505 1505 0 1507 1508 1508 0 1510 1511
    1511 0 1513 1514 1514 0 1516 1517 1517 0
    1519 1520 1520 0 1522 1523 1523 0 1525 1526
    1526 0 1528 1529 1529 0 1531 1532 1532 0
    1534 1535 1535 0 1537 1538 1538 0 1540 1541
    1541 0 1543 1544 1544 0 1546 1547 1547 0
    1549 1550 1550 0 1552 1553 1553 0 1555 1556
    1556 0 1558 1559 1559 0 1561 1562 1562 0
    1564 1565 1565 0 1567 1568 1568 0 1570 1571
    1571 0 1573 1574 1574 0 1576 1577 1577 0
    1579 1580 1580 0 1582 1583 1583 0 1585 1586
    1586 0 1588 1589 1589 0 1591 1592 1592 0
    1594 1595 1595 0 1597 1598 1598 0 1600 1601
    1601 0 1603 1604 1604 0 1606 1607 1607 0
    1609 1610 1610 0
%FLAG HBOND_ACOEF
%FORMAT(5E16.8)
  0.00000000E+00
%FLAG HBOND_BCOEF
%FORMAT(5E16.8)
  0.00000000E+00
%FLAG HBCUT
%FORMAT(5E16.8)
  0.00000000E+00
%FLAG AMBER_ATOM_TYPE
%FORMAT(20a4)
CT HC HC CT HC CT HC HC HC CT HC HC HC HC OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW
%FLAG TREE_CHAIN_CLASSIFICATION
%FORMAT(20a4)
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA
%FLAG JOIN_ARRAY
%FORMAT(10I8)
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
%FLAG IROTAT
%FORMAT(10I8)
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
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       0 0 0 0 0 0 0 0 0 0
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%FLAG SOLVENT_POINTERS
%FORMAT(3I8)
       1 533 2
%FLAG ATOMS_PER_MOLECULE
%FORMAT(10I8)
      14 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
       3 3 3 3 3 3 3 3 3 3
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%FLAG BOX_DIMENSIONS
%FORMAT(5E16.8)
  1.09471219E+02 2.94608414E+01 2.94608414E+01 2.94608414E+01
%FLAG RADII
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  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
%FLAG PERT_BOND_ATOMS
%FORMAT(10I8)
       0 3 0 6 0 9 0 39 9 12
       9 15 9 27 15 18 15 21 15 24
      27 30 27 33 27 36
%FLAG PERT_BOND_PARAMS
%FORMAT(10I8)
       1 1 3 1 1 3 3 1 1 1
       1 1 1 2 2 4 2 2 4 4
       2 2 2 2 2 2
%FLAG PERT_ANGLE_ATOMS
%FORMAT(10I8)
       0 9 12 0 9 15 0 9 27 3
       0 6 3 0 9 3 0 39 6 0
       9 6 0 39 9 0 39 9 15 18
       9 15 21 9 15 24 9 27 30 9
      27 33 9 27 36 12 9 15 12 9
      27 15 9 27 18 15 21 18 15 24
      21 15 24 30 27 33 30 27 36 33
      27 36
%FLAG PERT_ANGLE_PARAMS
%FORMAT(10I8)
       1 3 3 5 1 5 1 5 1 1
       1 1 1 1 1 1 1 3 5 5
       5 5 5 5 2 4 4 6 2 6
       2 6 2 2 2 2 2 2 2 2
       2 4 6 6 6 6 6 6
%FLAG PERT_DIHEDRAL_ATOMS
%FORMAT(10I8)
       0 9 15 18 0 9 15 21 0 9
      15 24 0 9 27 30 0 9 27 33
       0 9 27 36 3 0 9 12 3 0
       9 15 3 0 9 27 6 0 9 12
       6 0 9 15 6 0 9 27 39 0
       9 12 12 9 15 18 12 9 15 21
      12 9 15 24 12 9 27 30 12 9
      27 33 12 9 27 36 39 0 9 15
      15 9 27 30 15 9 27 33 15 9
      27 36 18 15 9 27 21 15 9 27
      24 15 9 27 39 0 9 27
%FLAG PERT_DIHEDRAL_PARAMS
%FORMAT(10I8)
       1 1 1 1 1 1 2 1 1 2
       1 1 2 2 2 2 2 2 2 1
       1 1 1 1 1 1 1 1 1 1
       1 1 1 2 1 1 2 1 1 2
       2 2 2 2 2 2 1 1 1 1
       1 1 1 1
%FLAG PERT_RESIDUE_NAME
%FORMAT(20a4)
LEU WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
%FLAG PERT_ATOM_NAME
%FORMAT(20a4)
CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23HB1 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O
H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2
O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1
H2 O H1 H2 O H1 H2 O H1 H2
%FLAG PERT_ATOM_SYMBOL
%FORMAT(20a4)
DC DH DH DC DH DC DH DH DH DC DH DH DH DH OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
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HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW
HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW
OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW
HW OW HW HW OW HW HW OW HW HW
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%VERSION VERSION_STAMP = V0001.000 DATE = 08/05/04 17:33:37
%FLAG TITLE
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       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1 3 2 1 1
       3 2 1 1 3 2 1 1 3 2
       1 1 3 2 1 1
%FLAG NONBONDED_PARM_INDEX
%FORMAT(10I8)
       1 2 4 7 11 16 2 3 5 8
      12 17 4 5 6 9 13 18 7 8
       9 10 -1 19 11 12 13 -1 15 20
      16 17 18 19 20 21
%FLAG RESIDUE_LABEL
%FORMAT(20a4)
LEU WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT
%FLAG RESIDUE_POINTER
%FORMAT(10I8)
       1 15 19 23 27 31 35 39 43 47
      51 55 59 63 67 71 75 79 83 87
      91 95 99 103 107 111 115 119 123 127
     131 135 139 143 147 151 155 159 163 167
     171 175 179 183 187 191 195 199 203 207
     211 215 219 223 227 231 235 239 243 247
     251 255 259 263 267 271 275 279 283 287
     291 295 299 303 307 311 315 319 323 327
     331 335 339 343 347 351 355 359 363 367
     371 375 379 383 387 391 395 399 403 407
     411 415 419 423 427 431 435 439 443 447
     451 455 459 463 467 471 475 479 483 487
     491 495 499 503 507 511 515 519 523 527
     531 535 539 543 547 551 555 559 563 567
     571 575 579 583 587 591 595 599 603 607
     611 615 619 623 627 631 635 639 643 647
     651 655 659 663 667 671 675 679 683 687
     691 695 699 703 707 711 715 719 723 727
     731 735 739 743 747 751 755 759 763 767
     771 775 779 783 787 791 795 799 803 807
     811 815 819 823 827 831 835 839 843 847
     851 855 859 863 867 871 875 879 883 887
     891 895 899 903 907 911 915 919 923 927
     931 935 939 943 947 951 955 959 963 967
     971 975 979 983 987 991 995 999 1003 1007
    1011 1015 1019 1023 1027 1031 1035 1039 1043 1047
    1051 1055 1059 1063 1067 1071 1075 1079 1083 1087
    1091 1095 1099 1103 1107 1111 1115 1119 1123 1127
    1131 1135 1139 1143 1147 1151 1155 1159 1163 1167
    1171 1175 1179 1183 1187 1191 1195 1199 1203 1207
    1211 1215 1219 1223 1227 1231 1235 1239 1243 1247
    1251 1255 1259 1263 1267 1271 1275 1279 1283 1287
    1291 1295 1299 1303 1307 1311 1315 1319 1323 1327
    1331 1335 1339 1343 1347 1351 1355 1359 1363 1367
    1371 1375 1379 1383 1387 1391 1395 1399 1403 1407
    1411 1415 1419 1423 1427 1431 1435 1439 1443 1447
    1451 1455 1459 1463 1467 1471 1475 1479 1483 1487
    1491 1495 1499 1503 1507 1511 1515 1519 1523 1527
    1531 1535 1539 1543 1547 1551 1555 1559 1563 1567
    1571 1575 1579 1583 1587 1591 1595 1599 1603 1607
    1611 1615 1619 1623 1627 1631 1635 1639 1643 1647
    1651 1655 1659 1663 1667 1671 1675 1679 1683 1687
    1691 1695 1699 1703 1707 1711 1715 1719 1723 1727
    1731 1735 1739 1743 1747 1751 1755 1759 1763 1767
    1771 1775 1779 1783 1787 1791 1795 1799 1803 1807
    1811 1815 1819 1823 1827 1831 1835 1839 1843 1847
    1851 1855 1859 1863 1867 1871 1875 1879 1883 1887
    1891 1895 1899 1903 1907 1911 1915 1919 1923 1927
    1931 1935 1939 1943 1947 1951 1955 1959 1963 1967
    1971 1975 1979 1983 1987 1991 1995 1999 2003 2007
    2011 2015 2019 2023 2027 2031 2035 2039 2043
%FLAG BOND_FORCE_CONSTANT
%FORMAT(5E16.8)
  3.50000000E+02 3.40000000E+02 2.10000000E+02 3.10000000E+02 5.53000000E+02
  5.53000000E+02 5.53000000E+02
%FLAG BOND_EQUIL_VALUE
%FORMAT(5E16.8)
  1.09000000E+00 1.09000000E+00 1.53300000E+00 1.52600000E+00 9.57200000E-01
  1.51360000E+00 1.50000000E-01
%FLAG ANGLE_FORCE_CONSTANT
%FORMAT(5E16.8)
  5.00000000E+01 5.00000000E+01 4.00000000E+01 4.00000000E+01 3.70000000E+01
  3.50000000E+01
%FLAG ANGLE_EQUIL_VALUE
%FORMAT(5E16.8)
  1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00
  1.91113635E+00
%FLAG DIHEDRAL_FORCE_CONSTANT
%FORMAT(5E16.8)
  1.60000000E-01 1.50000000E-01
%FLAG DIHEDRAL_PERIODICITY
%FORMAT(5E16.8)
  3.00000000E+00 3.00000000E+00
%FLAG DIHEDRAL_PHASE
%FORMAT(5E16.8)
  0.00000000E+00 0.00000000E+00
%FLAG SOLTY
%FORMAT(5E16.8)
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
  0.00000000E+00 0.00000000E+00
%FLAG LENNARD_JONES_ACOEF
%FORMAT(5E16.8)
  1.04308023E+06 9.71708117E+04 7.51607703E+03 4.82803722E+04 3.16388558E+03
  1.14402836E+03 7.97762306E+05 7.02698078E+04 3.32307088E+04 5.99896595E+05
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
  0.00000000E+00
%FLAG LENNARD_JONES_BCOEF
%FORMAT(5E16.8)
  6.75612247E+02 1.26919150E+02 2.17257828E+01 1.09859264E+02 1.73094133E+01
  1.27815199E+01 6.44620343E+02 1.17753064E+02 9.94374037E+01 6.09865468E+02
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
  0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
  0.00000000E+00
%FLAG BONDS_INC_HYDROGEN
%FORMAT(10I8)
      45 42 5 48 42 5 48 45 6 57
      54 5 60 54 5 60 57 6 69 66
       5 72 66 5 72 69 6 81 78 5
      84 78 5 84 81 6 93 90 5 96
      90 5 96 93 6 105 102 5 108 102
       5 108 105 6 117 114 5 120 114 5
     120 117 6 129 126 5 132 126 5 132
     129 6 141 138 5 144 138 5 144 141
       6 153 150 5 156 150 5 156 153 6
     165 162 5 168 162 5 168 165 6 177
     174 5 180 174 5 180 177 6 189 186
       5 192 186 5 192 189 6 201 198 5
     204 198 5 204 201 6 213 210 5 216
     210 5 216 213 6 225 222 5 228 222
       5 228 225 6 237 234 5 240 234 5
     240 237 6 249 246 5 252 246 5 252
     249 6 261 258 5 264 258 5 264 261
       6 273 270 5 276 270 5 276 273 6
     285 282 5 288 282 5 288 285 6 297
     294 5 300 294 5 300 297 6 309 306
       5 312 306 5 312 309 6 321 318 5
     324 318 5 324 321 6 333 330 5 336
     330 5 336 333 6 345 342 5 348 342
       5 348 345 6 357 354 5 360 354 5
     360 357 6 369 366 5 372 366 5 372
     369 6 381 378 5 384 378 5 384 381
       6 393 390 5 396 390 5 396 393 6
     405 402 5 408 402 5 408 405 6 417
     414 5 420 414 5 420 417 6 429 426
       5 432 426 5 432 429 6 441 438 5
     444 438 5 444 441 6 453 450 5 456
     450 5 456 453 6 465 462 5 468 462
       5 468 465 6 477 474 5 480 474 5
     480 477 6 489 486 5 492 486 5 492
     489 6 501 498 5 504 498 5 504 501
       6 513 510 5 516 510 5 516 513 6
     525 522 5 528 522 5 528 525 6 537
     534 5 540 534 5 540 537 6 549 546
       5 552 546 5 552 549 6 561 558 5
     564 558 5 564 561 6 573 570 5 576
     570 5 576 573 6 585 582 5 588 582
       5 588 585 6 597 594 5 600 594 5
     600 597 6 609 606 5 612 606 5 612
     609 6 621 618 5 624 618 5 624 621
       6 633 630 5 636 630 5 636 633 6
     645 642 5 648 642 5 648 645 6 657
     654 5 660 654 5 660 657 6 669 666
       5 672 666 5 672 669 6 681 678 5
     684 678 5 684 681 6 693 690 5 696
     690 5 696 693 6 705 702 5 708 702
       5 708 705 6 717 714 5 720 714 5
     720 717 6 729 726 5 732 726 5 732
     729 6 741 738 5 744 738 5 744 741
       6 753 750 5 756 750 5 756 753 6
     765 762 5 768 762 5 768 765 6 777
     774 5 780 774 5 780 777 6 789 786
       5 792 786 5 792 789 6 801 798 5
     804 798 5 804 801 6 813 810 5 816
     810 5 816 813 6 825 822 5 828 822
       5 828 825 6 837 834 5 840 834 5
     840 837 6 849 846 5 852 846 5 852
     849 6 861 858 5 864 858 5 864 861
       6 873 870 5 876 870 5 876 873 6
     885 882 5 888 882 5 888 885 6 897
     894 5 900 894 5 900 897 6 909 906
       5 912 906 5 912 909 6 921 918 5
     924 918 5 924 921 6 933 930 5 936
     930 5 936 933 6 945 942 5 948 942
       5 948 945 6 957 954 5 960 954 5
     960 957 6 969 966 5 972 966 5 972
     969 6 981 978 5 984 978 5 984 981
       6 993 990 5 996 990 5 996 993 6
    1005 1002 5 1008 1002 5 1008 1005 6 1017
    1014 5 1020 1014 5 1020 1017 6 1029 1026
       5 1032 1026 5 1032 1029 6 1041 1038 5
    1044 1038 5 1044 1041 6 1053 1050 5 1056
    1050 5 1056 1053 6 1065 1062 5 1068 1062
       5 1068 1065 6 1077 1074 5 1080 1074 5
    1080 1077 6 1089 1086 5 1092 1086 5 1092
    1089 6 1101 1098 5 1104 1098 5 1104 1101
       6 1113 1110 5 1116 1110 5 1116 1113 6
    1125 1122 5 1128 1122 5 1128 1125 6 1137
    1134 5 1140 1134 5 1140 1137 6 1149 1146
       5 1152 1146 5 1152 1149 6 1161 1158 5
    1164 1158 5 1164 1161 6 1173 1170 5 1176
    1170 5 1176 1173 6 1185 1182 5 1188 1182
       5 1188 1185 6 1197 1194 5 1200 1194 5
    1200 1197 6 1209 1206 5 1212 1206 5 1212
    1209 6 1221 1218 5 1224 1218 5 1224 1221
       6 1233 1230 5 1236 1230 5 1236 1233 6
    1245 1242 5 1248 1242 5 1248 1245 6 1257
    1254 5 1260 1254 5 1260 1257 6 1269 1266
       5 1272 1266 5 1272 1269 6 1281 1278 5
    1284 1278 5 1284 1281 6 1293 1290 5 1296
    1290 5 1296 1293 6 1305 1302 5 1308 1302
       5 1308 1305 6 1317 1314 5 1320 1314 5
    1320 1317 6 1329 1326 5 1332 1326 5 1332
    1329 6 1341 1338 5 1344 1338 5 1344 1341
       6 1353 1350 5 1356 1350 5 1356 1353 6
    1365 1362 5 1368 1362 5 1368 1365 6 1377
    1374 5 1380 1374 5 1380 1377 6 1389 1386
       5 1392 1386 5 1392 1389 6 1401 1398 5
    1404 1398 5 1404 1401 6 1413 1410 5 1416
    1410 5 1416 1413 6 1425 1422 5 1428 1422
       5 1428 1425 6 1437 1434 5 1440 1434 5
    1440 1437 6 1449 1446 5 1452 1446 5 1452
    1449 6 1461 1458 5 1464 1458 5 1464 1461
       6 1473 1470 5 1476 1470 5 1476 1473 6
    1485 1482 5 1488 1482 5 1488 1485 6 1497
    1494 5 1500 1494 5 1500 1497 6 1509 1506
       5 1512 1506 5 1512 1509 6 1521 1518 5
    1524 1518 5 1524 1521 6 1533 1530 5 1536
    1530 5 1536 1533 6 1545 1542 5 1548 1542
       5 1548 1545 6 1557 1554 5 1560 1554 5
    1560 1557 6 1569 1566 5 1572 1566 5 1572
    1569 6 1581 1578 5 1584 1578 5 1584 1581
       6 1593 1590 5 1596 1590 5 1596 1593 6
    1605 1602 5 1608 1602 5 1608 1605 6 1617
    1614 5 1620 1614 5 1620 1617 6 1629 1626
       5 1632 1626 5 1632 1629 6 1641 1638 5
    1644 1638 5 1644 1641 6 1653 1650 5 1656
    1650 5 1656 1653 6 1665 1662 5 1668 1662
       5 1668 1665 6 1677 1674 5 1680 1674 5
    1680 1677 6 1689 1686 5 1692 1686 5 1692
    1689 6 1701 1698 5 1704 1698 5 1704 1701
       6 1713 1710 5 1716 1710 5 1716 1713 6
    1725 1722 5 1728 1722 5 1728 1725 6 1737
    1734 5 1740 1734 5 1740 1737 6 1749 1746
       5 1752 1746 5 1752 1749 6 1761 1758 5
    1764 1758 5 1764 1761 6 1773 1770 5 1776
    1770 5 1776 1773 6 1785 1782 5 1788 1782
       5 1788 1785 6 1797 1794 5 1800 1794 5
    1800 1797 6 1809 1806 5 1812 1806 5 1812
    1809 6 1821 1818 5 1824 1818 5 1824 1821
       6 1833 1830 5 1836 1830 5 1836 1833 6
    1845 1842 5 1848 1842 5 1848 1845 6 1857
    1854 5 1860 1854 5 1860 1857 6 1869 1866
       5 1872 1866 5 1872 1869 6 1881 1878 5
    1884 1878 5 1884 1881 6 1893 1890 5 1896
    1890 5 1896 1893 6 1905 1902 5 1908 1902
       5 1908 1905 6 1917 1914 5 1920 1914 5
    1920 1917 6 1929 1926 5 1932 1926 5 1932
    1929 6 1941 1938 5 1944 1938 5 1944 1941
       6 1953 1950 5 1956 1950 5 1956 1953 6
    1965 1962 5 1968 1962 5 1968 1965 6 1977
    1974 5 1980 1974 5 1980 1977 6 1989 1986
       5 1992 1986 5 1992 1989 6 2001 1998 5
    2004 1998 5 2004 2001 6 2013 2010 5 2016
    2010 5 2016 2013 6 2025 2022 5 2028 2022
       5 2028 2025 6 2037 2034 5 2040 2034 5
    2040 2037 6 2049 2046 5 2052 2046 5 2052
    2049 6 2061 2058 5 2064 2058 5 2064 2061
       6 2073 2070 5 2076 2070 5 2076 2073 6
    2085 2082 5 2088 2082 5 2088 2085 6 2097
    2094 5 2100 2094 5 2100 2097 6 2109 2106
       5 2112 2106 5 2112 2109 6 2121 2118 5
    2124 2118 5 2124 2121 6 2133 2130 5 2136
    2130 5 2136 2133 6 2145 2142 5 2148 2142
       5 2148 2145 6 2157 2154 5 2160 2154 5
    2160 2157 6 2169 2166 5 2172 2166 5 2172
    2169 6 2181 2178 5 2184 2178 5 2184 2181
       6 2193 2190 5 2196 2190 5 2196 2193 6
    2205 2202 5 2208 2202 5 2208 2205 6 2217
    2214 5 2220 2214 5 2220 2217 6 2229 2226
       5 2232 2226 5 2232 2229 6 2241 2238 5
    2244 2238 5 2244 2241 6 2253 2250 5 2256
    2250 5 2256 2253 6 2265 2262 5 2268 2262
       5 2268 2265 6 2277 2274 5 2280 2274 5
    2280 2277 6 2289 2286 5 2292 2286 5 2292
    2289 6 2301 2298 5 2304 2298 5 2304 2301
       6 2313 2310 5 2316 2310 5 2316 2313 6
    2325 2322 5 2328 2322 5 2328 2325 6 2337
    2334 5 2340 2334 5 2340 2337 6 2349 2346
       5 2352 2346 5 2352 2349 6 2361 2358 5
    2364 2358 5 2364 2361 6 2373 2370 5 2376
    2370 5 2376 2373 6 2385 2382 5 2388 2382
       5 2388 2385 6 2397 2394 5 2400 2394 5
    2400 2397 6 2409 2406 5 2412 2406 5 2412
    2409 6 2421 2418 5 2424 2418 5 2424 2421
       6 2433 2430 5 2436 2430 5 2436 2433 6
    2445 2442 5 2448 2442 5 2448 2445 6 2457
    2454 5 2460 2454 5 2460 2457 6 2469 2466
       5 2472 2466 5 2472 2469 6 2481 2478 5
    2484 2478 5 2484 2481 6 2493 2490 5 2496
    2490 5 2496 2493 6 2505 2502 5 2508 2502
       5 2508 2505 6 2517 2514 5 2520 2514 5
    2520 2517 6 2529 2526 5 2532 2526 5 2532
    2529 6 2541 2538 5 2544 2538 5 2544 2541
       6 2553 2550 5 2556 2550 5 2556 2553 6
    2565 2562 5 2568 2562 5 2568 2565 6 2577
    2574 5 2580 2574 5 2580 2577 6 2589 2586
       5 2592 2586 5 2592 2589 6 2601 2598 5
    2604 2598 5 2604 2601 6 2613 2610 5 2616
    2610 5 2616 2613 6 2625 2622 5 2628 2622
       5 2628 2625 6 2637 2634 5 2640 2634 5
    2640 2637 6 2649 2646 5 2652 2646 5 2652
    2649 6 2661 2658 5 2664 2658 5 2664 2661
       6 2673 2670 5 2676 2670 5 2676 2673 6
    2685 2682 5 2688 2682 5 2688 2685 6 2697
    2694 5 2700 2694 5 2700 2697 6 2709 2706
       5 2712 2706 5 2712 2709 6 2721 2718 5
    2724 2718 5 2724 2721 6 2733 2730 5 2736
    2730 5 2736 2733 6 2745 2742 5 2748 2742
       5 2748 2745 6 2757 2754 5 2760 2754 5
    2760 2757 6 2769 2766 5 2772 2766 5 2772
    2769 6 2781 2778 5 2784 2778 5 2784 2781
       6 2793 2790 5 2796 2790 5 2796 2793 6
    2805 2802 5 2808 2802 5 2808 2805 6 2817
    2814 5 2820 2814 5 2820 2817 6 2829 2826
       5 2832 2826 5 2832 2829 6 2841 2838 5
    2844 2838 5 2844 2841 6 2853 2850 5 2856
    2850 5 2856 2853 6 2865 2862 5 2868 2862
       5 2868 2865 6 2877 2874 5 2880 2874 5
    2880 2877 6 2889 2886 5 2892 2886 5 2892
    2889 6 2901 2898 5 2904 2898 5 2904 2901
       6 2913 2910 5 2916 2910 5 2916 2913 6
    2925 2922 5 2928 2922 5 2928 2925 6 2937
    2934 5 2940 2934 5 2940 2937 6 2949 2946
       5 2952 2946 5 2952 2949 6 2961 2958 5
    2964 2958 5 2964 2961 6 2973 2970 5 2976
    2970 5 2976 2973 6 2985 2982 5 2988 2982
       5 2988 2985 6 2997 2994 5 3000 2994 5
    3000 2997 6 3009 3006 5 3012 3006 5 3012
    3009 6 3021 3018 5 3024 3018 5 3024 3021
       6 3033 3030 5 3036 3030 5 3036 3033 6
    3045 3042 5 3048 3042 5 3048 3045 6 3057
    3054 5 3060 3054 5 3060 3057 6 3069 3066
       5 3072 3066 5 3072 3069 6 3081 3078 5
    3084 3078 5 3084 3081 6 3093 3090 5 3096
    3090 5 3096 3093 6 3105 3102 5 3108 3102
       5 3108 3105 6 3117 3114 5 3120 3114 5
    3120 3117 6 3129 3126 5 3132 3126 5 3132
    3129 6 3141 3138 5 3144 3138 5 3144 3141
       6 3153 3150 5 3156 3150 5 3156 3153 6
    3165 3162 5 3168 3162 5 3168 3165 6 3177
    3174 5 3180 3174 5 3180 3177 6 3189 3186
       5 3192 3186 5 3192 3189 6 3201 3198 5
    3204 3198 5 3204 3201 6 3213 3210 5 3216
    3210 5 3216 3213 6 3225 3222 5 3228 3222
       5 3228 3225 6 3237 3234 5 3240 3234 5
    3240 3237 6 3249 3246 5 3252 3246 5 3252
    3249 6 3261 3258 5 3264 3258 5 3264 3261
       6 3273 3270 5 3276 3270 5 3276 3273 6
    3285 3282 5 3288 3282 5 3288 3285 6 3297
    3294 5 3300 3294 5 3300 3297 6 3309 3306
       5 3312 3306 5 3312 3309 6 3321 3318 5
    3324 3318 5 3324 3321 6 3333 3330 5 3336
    3330 5 3336 3333 6 3345 3342 5 3348 3342
       5 3348 3345 6 3357 3354 5 3360 3354 5
    3360 3357 6 3369 3366 5 3372 3366 5 3372
    3369 6 3381 3378 5 3384 3378 5 3384 3381
       6 3393 3390 5 3396 3390 5 3396 3393 6
    3405 3402 5 3408 3402 5 3408 3405 6 3417
    3414 5 3420 3414 5 3420 3417 6 3429 3426
       5 3432 3426 5 3432 3429 6 3441 3438 5
    3444 3438 5 3444 3441 6 3453 3450 5 3456
    3450 5 3456 3453 6 3465 3462 5 3468 3462
       5 3468 3465 6 3477 3474 5 3480 3474 5
    3480 3477 6 3489 3486 5 3492 3486 5 3492
    3489 6 3501 3498 5 3504 3498 5 3504 3501
       6 3513 3510 5 3516 3510 5 3516 3513 6
    3525 3522 5 3528 3522 5 3528 3525 6 3537
    3534 5 3540 3534 5 3540 3537 6 3549 3546
       5 3552 3546 5 3552 3549 6 3561 3558 5
    3564 3558 5 3564 3561 6 3573 3570 5 3576
    3570 5 3576 3573 6 3585 3582 5 3588 3582
       5 3588 3585 6 3597 3594 5 3600 3594 5
    3600 3597 6 3609 3606 5 3612 3606 5 3612
    3609 6 3621 3618 5 3624 3618 5 3624 3621
       6 3633 3630 5 3636 3630 5 3636 3633 6
    3645 3642 5 3648 3642 5 3648 3645 6 3657
    3654 5 3660 3654 5 3660 3657 6 3669 3666
       5 3672 3666 5 3672 3669 6 3681 3678 5
    3684 3678 5 3684 3681 6 3693 3690 5 3696
    3690 5 3696 3693 6 3705 3702 5 3708 3702
       5 3708 3705 6 3717 3714 5 3720 3714 5
    3720 3717 6 3729 3726 5 3732 3726 5 3732
    3729 6 3741 3738 5 3744 3738 5 3744 3741
       6 3753 3750 5 3756 3750 5 3756 3753 6
    3765 3762 5 3768 3762 5 3768 3765 6 3777
    3774 5 3780 3774 5 3780 3777 6 3789 3786
       5 3792 3786 5 3792 3789 6 3801 3798 5
    3804 3798 5 3804 3801 6 3813 3810 5 3816
    3810 5 3816 3813 6 3825 3822 5 3828 3822
       5 3828 3825 6 3837 3834 5 3840 3834 5
    3840 3837 6 3849 3846 5 3852 3846 5 3852
    3849 6 3861 3858 5 3864 3858 5 3864 3861
       6 3873 3870 5 3876 3870 5 3876 3873 6
    3885 3882 5 3888 3882 5 3888 3885 6 3897
    3894 5 3900 3894 5 3900 3897 6 3909 3906
       5 3912 3906 5 3912 3909 6 3921 3918 5
    3924 3918 5 3924 3921 6 3933 3930 5 3936
    3930 5 3936 3933 6 3945 3942 5 3948 3942
       5 3948 3945 6 3957 3954 5 3960 3954 5
    3960 3957 6 3969 3966 5 3972 3966 5 3972
    3969 6 3981 3978 5 3984 3978 5 3984 3981
       6 3993 3990 5 3996 3990 5 3996 3993 6
    4005 4002 5 4008 4002 5 4008 4005 6 4017
    4014 5 4020 4014 5 4020 4017 6 4029 4026
       5 4032 4026 5 4032 4029 6 4041 4038 5
    4044 4038 5 4044 4041 6 4053 4050 5 4056
    4050 5 4056 4053 6 4065 4062 5 4068 4062
       5 4068 4065 6 4077 4074 5 4080 4074 5
    4080 4077 6 4089 4086 5 4092 4086 5 4092
    4089 6 4101 4098 5 4104 4098 5 4104 4101
       6 4113 4110 5 4116 4110 5 4116 4113 6
    4125 4122 5 4128 4122 5 4128 4125 6 4137
    4134 5 4140 4134 5 4140 4137 6 4149 4146
       5 4152 4146 5 4152 4149 6 4161 4158 5
    4164 4158 5 4164 4161 6 4173 4170 5 4176
    4170 5 4176 4173 6 4185 4182 5 4188 4182
       5 4188 4185 6 4197 4194 5 4200 4194 5
    4200 4197 6 4209 4206 5 4212 4206 5 4212
    4209 6 4221 4218 5 4224 4218 5 4224 4221
       6 4233 4230 5 4236 4230 5 4236 4233 6
    4245 4242 5 4248 4242 5 4248 4245 6 4257
    4254 5 4260 4254 5 4260 4257 6 4269 4266
       5 4272 4266 5 4272 4269 6 4281 4278 5
    4284 4278 5 4284 4281 6 4293 4290 5 4296
    4290 5 4296 4293 6 4305 4302 5 4308 4302
       5 4308 4305 6 4317 4314 5 4320 4314 5
    4320 4317 6 4329 4326 5 4332 4326 5 4332
    4329 6 4341 4338 5 4344 4338 5 4344 4341
       6 4353 4350 5 4356 4350 5 4356 4353 6
    4365 4362 5 4368 4362 5 4368 4365 6 4377
    4374 5 4380 4374 5 4380 4377 6 4389 4386
       5 4392 4386 5 4392 4389 6 4401 4398 5
    4404 4398 5 4404 4401 6 4413 4410 5 4416
    4410 5 4416 4413 6 4425 4422 5 4428 4422
       5 4428 4425 6 4437 4434 5 4440 4434 5
    4440 4437 6 4449 4446 5 4452 4446 5 4452
    4449 6 4461 4458 5 4464 4458 5 4464 4461
       6 4473 4470 5 4476 4470 5 4476 4473 6
    4485 4482 5 4488 4482 5 4488 4485 6 4497
    4494 5 4500 4494 5 4500 4497 6 4509 4506
       5 4512 4506 5 4512 4509 6 4521 4518 5
    4524 4518 5 4524 4521 6 4533 4530 5 4536
    4530 5 4536 4533 6 4545 4542 5 4548 4542
       5 4548 4545 6 4557 4554 5 4560 4554 5
    4560 4557 6 4569 4566 5 4572 4566 5 4572
    4569 6 4581 4578 5 4584 4578 5 4584 4581
       6 4593 4590 5 4596 4590 5 4596 4593 6
    4605 4602 5 4608 4602 5 4608 4605 6 4617
    4614 5 4620 4614 5 4620 4617 6 4629 4626
       5 4632 4626 5 4632 4629 6 4641 4638 5
    4644 4638 5 4644 4641 6 4653 4650 5 4656
    4650 5 4656 4653 6 4665 4662 5 4668 4662
       5 4668 4665 6 4677 4674 5 4680 4674 5
    4680 4677 6 4689 4686 5 4692 4686 5 4692
    4689 6 4701 4698 5 4704 4698 5 4704 4701
       6 4713 4710 5 4716 4710 5 4716 4713 6
    4725 4722 5 4728 4722 5 4728 4725 6 4737
    4734 5 4740 4734 5 4740 4737 6 4749 4746
       5 4752 4746 5 4752 4749 6 4761 4758 5
    4764 4758 5 4764 4761 6 4773 4770 5 4776
    4770 5 4776 4773 6 4785 4782 5 4788 4782
       5 4788 4785 6 4797 4794 5 4800 4794 5
    4800 4797 6 4809 4806 5 4812 4806 5 4812
    4809 6 4821 4818 5 4824 4818 5 4824 4821
       6 4833 4830 5 4836 4830 5 4836 4833 6
    4845 4842 5 4848 4842 5 4848 4845 6 4857
    4854 5 4860 4854 5 4860 4857 6 4869 4866
       5 4872 4866 5 4872 4869 6 4881 4878 5
    4884 4878 5 4884 4881 6 4893 4890 5 4896
    4890 5 4896 4893 6 4905 4902 5 4908 4902
       5 4908 4905 6 4917 4914 5 4920 4914 5
    4920 4917 6 4929 4926 5 4932 4926 5 4932
    4929 6 4941 4938 5 4944 4938 5 4944 4941
       6 4953 4950 5 4956 4950 5 4956 4953 6
    4965 4962 5 4968 4962 5 4968 4965 6 4977
    4974 5 4980 4974 5 4980 4977 6 4989 4986
       5 4992 4986 5 4992 4989 6 5001 4998 5
    5004 4998 5 5004 5001 6 5013 5010 5 5016
    5010 5 5016 5013 6 5025 5022 5 5028 5022
       5 5028 5025 6 5037 5034 5 5040 5034 5
    5040 5037 6 5049 5046 5 5052 5046 5 5052
    5049 6 5061 5058 5 5064 5058 5 5064 5061
       6 5073 5070 5 5076 5070 5 5076 5073 6
    5085 5082 5 5088 5082 5 5088 5085 6 5097
    5094 5 5100 5094 5 5100 5097 6 5109 5106
       5 5112 5106 5 5112 5109 6 5121 5118 5
    5124 5118 5 5124 5121 6 5133 5130 5 5136
    5130 5 5136 5133 6 5145 5142 5 5148 5142
       5 5148 5145 6 5157 5154 5 5160 5154 5
    5160 5157 6 5169 5166 5 5172 5166 5 5172
    5169 6 5181 5178 5 5184 5178 5 5184 5181
       6 5193 5190 5 5196 5190 5 5196 5193 6
    5205 5202 5 5208 5202 5 5208 5205 6 5217
    5214 5 5220 5214 5 5220 5217 6 5229 5226
       5 5232 5226 5 5232 5229 6 5241 5238 5
    5244 5238 5 5244 5241 6 5253 5250 5 5256
    5250 5 5256 5253 6 5265 5262 5 5268 5262
       5 5268 5265 6 5277 5274 5 5280 5274 5
    5280 5277 6 5289 5286 5 5292 5286 5 5292
    5289 6 5301 5298 5 5304 5298 5 5304 5301
       6 5313 5310 5 5316 5310 5 5316 5313 6
    5325 5322 5 5328 5322 5 5328 5325 6 5337
    5334 5 5340 5334 5 5340 5337 6 5349 5346
       5 5352 5346 5 5352 5349 6 5361 5358 5
    5364 5358 5 5364 5361 6 5373 5370 5 5376
    5370 5 5376 5373 6 5385 5382 5 5388 5382
       5 5388 5385 6 5397 5394 5 5400 5394 5
    5400 5397 6 5409 5406 5 5412 5406 5 5412
    5409 6 5421 5418 5 5424 5418 5 5424 5421
       6 5433 5430 5 5436 5430 5 5436 5433 6
    5445 5442 5 5448 5442 5 5448 5445 6 5457
    5454 5 5460 5454 5 5460 5457 6 5469 5466
       5 5472 5466 5 5472 5469 6 5481 5478 5
    5484 5478 5 5484 5481 6 5493 5490 5 5496
    5490 5 5496 5493 6 5505 5502 5 5508 5502
       5 5508 5505 6 5517 5514 5 5520 5514 5
    5520 5517 6 5529 5526 5 5532 5526 5 5532
    5529 6 5541 5538 5 5544 5538 5 5544 5541
       6 5553 5550 5 5556 5550 5 5556 5553 6
    5565 5562 5 5568 5562 5 5568 5565 6 5577
    5574 5 5580 5574 5 5580 5577 6 5589 5586
       5 5592 5586 5 5592 5589 6 5601 5598 5
    5604 5598 5 5604 5601 6 5613 5610 5 5616
    5610 5 5616 5613 6 5625 5622 5 5628 5622
       5 5628 5625 6 5637 5634 5 5640 5634 5
    5640 5637 6 5649 5646 5 5652 5646 5 5652
    5649 6 5661 5658 5 5664 5658 5 5664 5661
       6 5673 5670 5 5676 5670 5 5676 5673 6
    5685 5682 5 5688 5682 5 5688 5685 6 5697
    5694 5 5700 5694 5 5700 5697 6 5709 5706
       5 5712 5706 5 5712 5709 6 5721 5718 5
    5724 5718 5 5724 5721 6 5733 5730 5 5736
    5730 5 5736 5733 6 5745 5742 5 5748 5742
       5 5748 5745 6 5757 5754 5 5760 5754 5
    5760 5757 6 5769 5766 5 5772 5766 5 5772
    5769 6 5781 5778 5 5784 5778 5 5784 5781
       6 5793 5790 5 5796 5790 5 5796 5793 6
    5805 5802 5 5808 5802 5 5808 5805 6 5817
    5814 5 5820 5814 5 5820 5817 6 5829 5826
       5 5832 5826 5 5832 5829 6 5841 5838 5
    5844 5838 5 5844 5841 6 5853 5850 5 5856
    5850 5 5856 5853 6 5865 5862 5 5868 5862
       5 5868 5865 6 5877 5874 5 5880 5874 5
    5880 5877 6 5889 5886 5 5892 5886 5 5892
    5889 6 5901 5898 5 5904 5898 5 5904 5901
       6 5913 5910 5 5916 5910 5 5916 5913 6
    5925 5922 5 5928 5922 5 5928 5925 6 5937
    5934 5 5940 5934 5 5940 5937 6 5949 5946
       5 5952 5946 5 5952 5949 6 5961 5958 5
    5964 5958 5 5964 5961 6 5973 5970 5 5976
    5970 5 5976 5973 6 5985 5982 5 5988 5982
       5 5988 5985 6 5997 5994 5 6000 5994 5
    6000 5997 6 6009 6006 5 6012 6006 5 6012
    6009 6 6021 6018 5 6024 6018 5 6024 6021
       6 6033 6030 5 6036 6030 5 6036 6033 6
    6045 6042 5 6048 6042 5 6048 6045 6 6057
    6054 5 6060 6054 5 6060 6057 6 6069 6066
       5 6072 6066 5 6072 6069 6 6081 6078 5
    6084 6078 5 6084 6081 6 6093 6090 5 6096
    6090 5 6096 6093 6 6105 6102 5 6108 6102
       5 6108 6105 6 6117 6114 5 6120 6114 5
    6120 6117 6 6129 6126 5 6132 6126 5 6132
    6129 6
%FLAG BONDS_WITHOUT_HYDROGEN
%FORMAT(10I8)
      51 42 7 63 54 7 75 66 7 87
      78 7 99 90 7 111 102 7 123 114
       7 135 126 7 147 138 7 159 150 7
     171 162 7 183 174 7 195 186 7 207
     198 7 219 210 7 231 222 7 243 234
       7 255 246 7 267 258 7 279 270 7
     291 282 7 303 294 7 315 306 7 327
     318 7 339 330 7 351 342 7 363 354
       7 375 366 7 387 378 7 399 390 7
     411 402 7 423 414 7 435 426 7 447
     438 7 459 450 7 471 462 7 483 474
       7 495 486 7 507 498 7 519 510 7
     531 522 7 543 534 7 555 546 7 567
     558 7 579 570 7 591 582 7 603 594
       7 615 606 7 627 618 7 639 630 7
     651 642 7 663 654 7 675 666 7 687
     678 7 699 690 7 711 702 7 723 714
       7 735 726 7 747 738 7 759 750 7
     771 762 7 783 774 7 795 786 7 807
     798 7 819 810 7 831 822 7 843 834
       7 855 846 7 867 858 7 879 870 7
     891 882 7 903 894 7 915 906 7 927
     918 7 939 930 7 951 942 7 963 954
       7 975 966 7 987 978 7 999 990 7
    1011 1002 7 1023 1014 7 1035 1026 7 1047
    1038 7 1059 1050 7 1071 1062 7 1083 1074
       7 1095 1086 7 1107 1098 7 1119 1110 7
    1131 1122 7 1143 1134 7 1155 1146 7 1167
    1158 7 1179 1170 7 1191 1182 7 1203 1194
       7 1215 1206 7 1227 1218 7 1239 1230 7
    1251 1242 7 1263 1254 7 1275 1266 7 1287
    1278 7 1299 1290 7 1311 1302 7 1323 1314
       7 1335 1326 7 1347 1338 7 1359 1350 7
    1371 1362 7 1383 1374 7 1395 1386 7 1407
    1398 7 1419 1410 7 1431 1422 7 1443 1434
       7 1455 1446 7 1467 1458 7 1479 1470 7
    1491 1482 7 1503 1494 7 1515 1506 7 1527
    1518 7 1539 1530 7 1551 1542 7 1563 1554
       7 1575 1566 7 1587 1578 7 1599 1590 7
    1611 1602 7 1623 1614 7 1635 1626 7 1647
    1638 7 1659 1650 7 1671 1662 7 1683 1674
       7 1695 1686 7 1707 1698 7 1719 1710 7
    1731 1722 7 1743 1734 7 1755 1746 7 1767
    1758 7 1779 1770 7 1791 1782 7 1803 1794
       7 1815 1806 7 1827 1818 7 1839 1830 7
    1851 1842 7 1863 1854 7 1875 1866 7 1887
    1878 7 1899 1890 7 1911 1902 7 1923 1914
       7 1935 1926 7 1947 1938 7 1959 1950 7
    1971 1962 7 1983 1974 7 1995 1986 7 2007
    1998 7 2019 2010 7 2031 2022 7 2043 2034
       7 2055 2046 7 2067 2058 7 2079 2070 7
    2091 2082 7 2103 2094 7 2115 2106 7 2127
    2118 7 2139 2130 7 2151 2142 7 2163 2154
       7 2175 2166 7 2187 2178 7 2199 2190 7
    2211 2202 7 2223 2214 7 2235 2226 7 2247
    2238 7 2259 2250 7 2271 2262 7 2283 2274
       7 2295 2286 7 2307 2298 7 2319 2310 7
    2331 2322 7 2343 2334 7 2355 2346 7 2367
    2358 7 2379 2370 7 2391 2382 7 2403 2394
       7 2415 2406 7 2427 2418 7 2439 2430 7
    2451 2442 7 2463 2454 7 2475 2466 7 2487
    2478 7 2499 2490 7 2511 2502 7 2523 2514
       7 2535 2526 7 2547 2538 7 2559 2550 7
    2571 2562 7 2583 2574 7 2595 2586 7 2607
    2598 7 2619 2610 7 2631 2622 7 2643 2634
       7 2655 2646 7 2667 2658 7 2679 2670 7
    2691 2682 7 2703 2694 7 2715 2706 7 2727
    2718 7 2739 2730 7 2751 2742 7 2763 2754
       7 2775 2766 7 2787 2778 7 2799 2790 7
    2811 2802 7 2823 2814 7 2835 2826 7 2847
    2838 7 2859 2850 7 2871 2862 7 2883 2874
       7 2895 2886 7 2907 2898 7 2919 2910 7
    2931 2922 7 2943 2934 7 2955 2946 7 2967
    2958 7 2979 2970 7 2991 2982 7 3003 2994
       7 3015 3006 7 3027 3018 7 3039 3030 7
    3051 3042 7 3063 3054 7 3075 3066 7 3087
    3078 7 3099 3090 7 3111 3102 7 3123 3114
       7 3135 3126 7 3147 3138 7 3159 3150 7
    3171 3162 7 3183 3174 7 3195 3186 7 3207
    3198 7 3219 3210 7 3231 3222 7 3243 3234
       7 3255 3246 7 3267 3258 7 3279 3270 7
    3291 3282 7 3303 3294 7 3315 3306 7 3327
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       7 3375 3366 7 3387 3378 7 3399 3390 7
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       7 3495 3486 7 3507 3498 7 3519 3510 7
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       7 3615 3606 7 3627 3618 7 3639 3630 7
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       7 3735 3726 7 3747 3738 7 3759 3750 7
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       7 3855 3846 7 3867 3858 7 3879 3870 7
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       7 3975 3966 7 3987 3978 7 3999 3990 7
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       7 4095 4086 7 4107 4098 7 4119 4110 7
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       7 4215 4206 7 4227 4218 7 4239 4230 7
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       7 4335 4326 7 4347 4338 7 4359 4350 7
    4371 4362 7 4383 4374 7 4395 4386 7 4407
    4398 7 4419 4410 7 4431 4422 7 4443 4434
       7 4455 4446 7 4467 4458 7 4479 4470 7
    4491 4482 7 4503 4494 7 4515 4506 7 4527
    4518 7 4539 4530 7 4551 4542 7 4563 4554
       7 4575 4566 7 4587 4578 7 4599 4590 7
    4611 4602 7 4623 4614 7 4635 4626 7 4647
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       7 4695 4686 7 4707 4698 7 4719 4710 7
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       7 4815 4806 7 4827 4818 7 4839 4830 7
    4851 4842 7 4863 4854 7 4875 4866 7 4887
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       7 4935 4926 7 4947 4938 7 4959 4950 7
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       7 5055 5046 7 5067 5058 7 5079 5070 7
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       7 5175 5166 7 5187 5178 7 5199 5190 7
    5211 5202 7 5223 5214 7 5235 5226 7 5247
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       7 5295 5286 7 5307 5298 7 5319 5310 7
    5331 5322 7 5343 5334 7 5355 5346 7 5367
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       7 5415 5406 7 5427 5418 7 5439 5430 7
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       7 5535 5526 7 5547 5538 7 5559 5550 7
    5571 5562 7 5583 5574 7 5595 5586 7 5607
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       7 5655 5646 7 5667 5658 7 5679 5670 7
    5691 5682 7 5703 5694 7 5715 5706 7 5727
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       7 5775 5766 7 5787 5778 7 5799 5790 7
    5811 5802 7 5823 5814 7 5835 5826 7 5847
    5838 7 5859 5850 7 5871 5862 7 5883 5874
       7 5895 5886 7 5907 5898 7 5919 5910 7
    5931 5922 7 5943 5934 7 5955 5946 7 5967
    5958 7 5979 5970 7 5991 5982 7 6003 5994
       7 6015 6006 7 6027 6018 7 6039 6030 7
    6051 6042 7 6063 6054 7 6075 6066 7 6087
    6078 7 6099 6090 7 6111 6102 7 6123 6114
       7 6135 6126 7
%FLAG ANGLES_INC_HYDROGEN
%FORMAT(10I8)

%FLAG ANGLES_WITHOUT_HYDROGEN
%FORMAT(10I8)

%FLAG DIHEDRALS_INC_HYDROGEN
%FORMAT(10I8)

%FLAG DIHEDRALS_WITHOUT_HYDROGEN
%FORMAT(10I8)

%FLAG EXCLUDED_ATOMS_LIST
%FORMAT(10I8)
       2 3 4 5 6 7 8 9 10 11
      12 13 14 3 4 5 6 10 14 4
       5 6 10 14 5 6 7 8 9 10
      11 12 13 14 6 7 8 9 10 11
      12 13 14 7 8 9 10 11 12 13
      14 8 9 10 9 10 10 11 12 13
      14 12 13 13 0 0 16 17 18 17
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       0 36 37 38 37 38 38 0 40 41
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      46 0 48 49 50 49 50 50 0 52
      53 54 53 54 54 0 56 57 58 57
      58 58 0 60 61 62 61 62 62 0
      64 65 66 65 66 66 0 68 69 70
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      82 81 82 82 0 84 85 86 85 86
      86 0 88 89 90 89 90 90 0 92
      93 94 93 94 94 0 96 97 98 97
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       0 756 757 758 757 758 758 0 760 761
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     789 790 790 0 792 793 794 793 794 794
       0 796 797 798 797 798 798 0 800 801
     802 801 802 802 0 804 805 806 805 806
     806 0 808 809 810 809 810 810 0 812
     813 814 813 814 814 0 816 817 818 817
     818 818 0 820 821 822 821 822 822 0
     824 825 826 825 826 826 0 828 829 830
     829 830 830 0 832 833 834 833 834 834
       0 836 837 838 837 838 838 0 840 841
     842 841 842 842 0 844 845 846 845 846
     846 0 848 849 850 849 850 850 0 852
     853 854 853 854 854 0 856 857 858 857
     858 858 0 860 861 862 861 862 862 0
     864 865 866 865 866 866 0 868 869 870
     869 870 870 0 872 873 874 873 874 874
       0 876 877 878 877 878 878 0 880 881
     882 881 882 882 0 884 885 886 885 886
     886 0 888 889 890 889 890 890 0 892
     893 894 893 894 894 0 896 897 898 897
     898 898 0 900 901 902 901 902 902 0
     904 905 906 905 906 906 0 908 909 910
     909 910 910 0 912 913 914 913 914 914
       0 916 917 918 917 918 918 0 920 921
     922 921 922 922 0 924 925 926 925 926
     926 0 928 929 930 929 930 930 0 932
     933 934 933 934 934 0 936 937 938 937
     938 938 0 940 941 942 941 942 942 0
     944 945 946 945 946 946 0 948 949 950
     949 950 950 0 952 953 954 953 954 954
       0 956 957 958 957 958 958 0 960 961
     962 961 962 962 0 964 965 966 965 966
     966 0 968 969 970 969 970 970 0 972
     973 974 973 974 974 0 976 977 978 977
     978 978 0 980 981 982 981 982 982 0
     984 985 986 985 986 986 0 988 989 990
     989 990 990 0 992 993 994 993 994 994
       0 996 997 998 997 998 998 0 1000 1001
    1002 1001 1002 1002 0 1004 1005 1006 1005 1006
    1006 0 1008 1009 1010 1009 1010 1010 0 1012
    1013 1014 1013 1014 1014 0 1016 1017 1018 1017
    1018 1018 0 1020 1021 1022 1021 1022 1022 0
    1024 1025 1026 1025 1026 1026 0 1028 1029 1030
    1029 1030 1030 0 1032 1033 1034 1033 1034 1034
       0 1036 1037 1038 1037 1038 1038 0 1040 1041
    1042 1041 1042 1042 0 1044 1045 1046 1045 1046
    1046 0 1048 1049 1050 1049 1050 1050 0 1052
    1053 1054 1053 1054 1054 0 1056 1057 1058 1057
    1058 1058 0 1060 1061 1062 1061 1062 1062 0
    1064 1065 1066 1065 1066 1066 0 1068 1069 1070
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       0 1076 1077 1078 1077 1078 1078 0 1080 1081
    1082 1081 1082 1082 0 1084 1085 1086 1085 1086
    1086 0 1088 1089 1090 1089 1090 1090 0 1092
    1093 1094 1093 1094 1094 0 1096 1097 1098 1097
    1098 1098 0 1100 1101 1102 1101 1102 1102 0
    1104 1105 1106 1105 1106 1106 0 1108 1109 1110
    1109 1110 1110 0 1112 1113 1114 1113 1114 1114
       0 1116 1117 1118 1117 1118 1118 0 1120 1121
    1122 1121 1122 1122 0 1124 1125 1126 1125 1126
    1126 0 1128 1129 1130 1129 1130 1130 0 1132
    1133 1134 1133 1134 1134 0 1136 1137 1138 1137
    1138 1138 0 1140 1141 1142 1141 1142 1142 0
    1144 1145 1146 1145 1146 1146 0 1148 1149 1150
    1149 1150 1150 0 1152 1153 1154 1153 1154 1154
       0 1156 1157 1158 1157 1158 1158 0 1160 1161
    1162 1161 1162 1162 0 1164 1165 1166 1165 1166
    1166 0 1168 1169 1170 1169 1170 1170 0 1172
    1173 1174 1173 1174 1174 0 1176 1177 1178 1177
    1178 1178 0 1180 1181 1182 1181 1182 1182 0
    1184 1185 1186 1185 1186 1186 0 1188 1189 1190
    1189 1190 1190 0 1192 1193 1194 1193 1194 1194
       0 1196 1197 1198 1197 1198 1198 0 1200 1201
    1202 1201 1202 1202 0 1204 1205 1206 1205 1206
    1206 0 1208 1209 1210 1209 1210 1210 0 1212
    1213 1214 1213 1214 1214 0 1216 1217 1218 1217
    1218 1218 0 1220 1221 1222 1221 1222 1222 0
    1224 1225 1226 1225 1226 1226 0 1228 1229 1230
    1229 1230 1230 0 1232 1233 1234 1233 1234 1234
       0 1236 1237 1238 1237 1238 1238 0 1240 1241
    1242 1241 1242 1242 0 1244 1245 1246 1245 1246
    1246 0 1248 1249 1250 1249 1250 1250 0 1252
    1253 1254 1253 1254 1254 0 1256 1257 1258 1257
    1258 1258 0 1260 1261 1262 1261 1262 1262 0
    1264 1265 1266 1265 1266 1266 0 1268 1269 1270
    1269 1270 1270 0 1272 1273 1274 1273 1274 1274
       0 1276 1277 1278 1277 1278 1278 0 1280 1281
    1282 1281 1282 1282 0 1284 1285 1286 1285 1286
    1286 0 1288 1289 1290 1289 1290 1290 0 1292
    1293 1294 1293 1294 1294 0 1296 1297 1298 1297
    1298 1298 0 1300 1301 1302 1301 1302 1302 0
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       0 1316 1317 1318 1317 1318 1318 0 1320 1321
    1322 1321 1322 1322 0 1324 1325 1326 1325 1326
    1326 0 1328 1329 1330 1329 1330 1330 0 1332
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    1349 1350 1350 0 1352 1353 1354 1353 1354 1354
       0 1356 1357 1358 1357 1358 1358 0 1360 1361
    1362 1361 1362 1362 0 1364 1365 1366 1365 1366
    1366 0 1368 1369 1370 1369 1370 1370 0 1372
    1373 1374 1373 1374 1374 0 1376 1377 1378 1377
    1378 1378 0 1380 1381 1382 1381 1382 1382 0
    1384 1385 1386 1385 1386 1386 0 1388 1389 1390
    1389 1390 1390 0 1392 1393 1394 1393 1394 1394
       0 1396 1397 1398 1397 1398 1398 0 1400 1401
    1402 1401 1402 1402 0 1404 1405 1406 1405 1406
    1406 0 1408 1409 1410 1409 1410 1410 0 1412
    1413 1414 1413 1414 1414 0 1416 1417 1418 1417
    1418 1418 0 1420 1421 1422 1421 1422 1422 0
    1424 1425 1426 1425 1426 1426 0 1428 1429 1430
    1429 1430 1430 0 1432 1433 1434 1433 1434 1434
       0 1436 1437 1438 1437 1438 1438 0 1440 1441
    1442 1441 1442 1442 0 1444 1445 1446 1445 1446
    1446 0 1448 1449 1450 1449 1450 1450 0 1452
    1453 1454 1453 1454 1454 0 1456 1457 1458 1457
    1458 1458 0 1460 1461 1462 1461 1462 1462 0
    1464 1465 1466 1465 1466 1466 0 1468 1469 1470
    1469 1470 1470 0 1472 1473 1474 1473 1474 1474
       0 1476 1477 1478 1477 1478 1478 0 1480 1481
    1482 1481 1482 1482 0 1484 1485 1486 1485 1486
    1486 0 1488 1489 1490 1489 1490 1490 0 1492
    1493 1494 1493 1494 1494 0 1496 1497 1498 1497
    1498 1498 0 1500 1501 1502 1501 1502 1502 0
    1504 1505 1506 1505 1506 1506 0 1508 1509 1510
    1509 1510 1510 0 1512 1513 1514 1513 1514 1514
       0 1516 1517 1518 1517 1518 1518 0 1520 1521
    1522 1521 1522 1522 0 1524 1525 1526 1525 1526
    1526 0 1528 1529 1530 1529 1530 1530 0 1532
    1533 1534 1533 1534 1534 0 1536 1537 1538 1537
    1538 1538 0 1540 1541 1542 1541 1542 1542 0
    1544 1545 1546 1545 1546 1546 0 1548 1549 1550
    1549 1550 1550 0 1552 1553 1554 1553 1554 1554
       0 1556 1557 1558 1557 1558 1558 0 1560 1561
    1562 1561 1562 1562 0 1564 1565 1566 1565 1566
    1566 0 1568 1569 1570 1569 1570 1570 0 1572
    1573 1574 1573 1574 1574 0 1576 1577 1578 1577
    1578 1578 0 1580 1581 1582 1581 1582 1582 0
    1584 1585 1586 1585 1586 1586 0 1588 1589 1590
    1589 1590 1590 0 1592 1593 1594 1593 1594 1594
       0 1596 1597 1598 1597 1598 1598 0 1600 1601
    1602 1601 1602 1602 0 1604 1605 1606 1605 1606
    1606 0 1608 1609 1610 1609 1610 1610 0 1612
    1613 1614 1613 1614 1614 0 1616 1617 1618 1617
    1618 1618 0 1620 1621 1622 1621 1622 1622 0
    1624 1625 1626 1625 1626 1626 0 1628 1629 1630
    1629 1630 1630 0 1632 1633 1634 1633 1634 1634
       0 1636 1637 1638 1637 1638 1638 0 1640 1641
    1642 1641 1642 1642 0 1644 1645 1646 1645 1646
    1646 0 1648 1649 1650 1649 1650 1650 0 1652
    1653 1654 1653 1654 1654 0 1656 1657 1658 1657
    1658 1658 0 1660 1661 1662 1661 1662 1662 0
    1664 1665 1666 1665 1666 1666 0 1668 1669 1670
    1669 1670 1670 0 1672 1673 1674 1673 1674 1674
       0 1676 1677 1678 1677 1678 1678 0 1680 1681
    1682 1681 1682 1682 0 1684 1685 1686 1685 1686
    1686 0 1688 1689 1690 1689 1690 1690 0 1692
    1693 1694 1693 1694 1694 0 1696 1697 1698 1697
    1698 1698 0 1700 1701 1702 1701 1702 1702 0
    1704 1705 1706 1705 1706 1706 0 1708 1709 1710
    1709 1710 1710 0 1712 1713 1714 1713 1714 1714
       0 1716 1717 1718 1717 1718 1718 0 1720 1721
    1722 1721 1722 1722 0 1724 1725 1726 1725 1726
    1726 0 1728 1729 1730 1729 1730 1730 0 1732
    1733 1734 1733 1734 1734 0 1736 1737 1738 1737
    1738 1738 0 1740 1741 1742 1741 1742 1742 0
    1744 1745 1746 1745 1746 1746 0 1748 1749 1750
    1749 1750 1750 0 1752 1753 1754 1753 1754 1754
       0 1756 1757 1758 1757 1758 1758 0 1760 1761
    1762 1761 1762 1762 0 1764 1765 1766 1765 1766
    1766 0 1768 1769 1770 1769 1770 1770 0 1772
    1773 1774 1773 1774 1774 0 1776 1777 1778 1777
    1778 1778 0 1780 1781 1782 1781 1782 1782 0
    1784 1785 1786 1785 1786 1786 0 1788 1789 1790
    1789 1790 1790 0 1792 1793 1794 1793 1794 1794
       0 1796 1797 1798 1797 1798 1798 0 1800 1801
    1802 1801 1802 1802 0 1804 1805 1806 1805 1806
    1806 0 1808 1809 1810 1809 1810 1810 0 1812
    1813 1814 1813 1814 1814 0 1816 1817 1818 1817
    1818 1818 0 1820 1821 1822 1821 1822 1822 0
    1824 1825 1826 1825 1826 1826 0 1828 1829 1830
    1829 1830 1830 0 1832 1833 1834 1833 1834 1834
       0 1836 1837 1838 1837 1838 1838 0 1840 1841
    1842 1841 1842 1842 0 1844 1845 1846 1845 1846
    1846 0 1848 1849 1850 1849 1850 1850 0 1852
    1853 1854 1853 1854 1854 0 1856 1857 1858 1857
    1858 1858 0 1860 1861 1862 1861 1862 1862 0
    1864 1865 1866 1865 1866 1866 0 1868 1869 1870
    1869 1870 1870 0 1872 1873 1874 1873 1874 1874
       0 1876 1877 1878 1877 1878 1878 0 1880 1881
    1882 1881 1882 1882 0 1884 1885 1886 1885 1886
    1886 0 1888 1889 1890 1889 1890 1890 0 1892
    1893 1894 1893 1894 1894 0 1896 1897 1898 1897
    1898 1898 0 1900 1901 1902 1901 1902 1902 0
    1904 1905 1906 1905 1906 1906 0 1908 1909 1910
    1909 1910 1910 0 1912 1913 1914 1913 1914 1914
       0 1916 1917 1918 1917 1918 1918 0 1920 1921
    1922 1921 1922 1922 0 1924 1925 1926 1925 1926
    1926 0 1928 1929 1930 1929 1930 1930 0 1932
    1933 1934 1933 1934 1934 0 1936 1937 1938 1937
    1938 1938 0 1940 1941 1942 1941 1942 1942 0
    1944 1945 1946 1945 1946 1946 0 1948 1949 1950
    1949 1950 1950 0 1952 1953 1954 1953 1954 1954
       0 1956 1957 1958 1957 1958 1958 0 1960 1961
    1962 1961 1962 1962 0 1964 1965 1966 1965 1966
    1966 0 1968 1969 1970 1969 1970 1970 0 1972
    1973 1974 1973 1974 1974 0 1976 1977 1978 1977
    1978 1978 0 1980 1981 1982 1981 1982 1982 0
    1984 1985 1986 1985 1986 1986 0 1988 1989 1990
    1989 1990 1990 0 1992 1993 1994 1993 1994 1994
       0 1996 1997 1998 1997 1998 1998 0 2000 2001
    2002 2001 2002 2002 0 2004 2005 2006 2005 2006
    2006 0 2008 2009 2010 2009 2010 2010 0 2012
    2013 2014 2013 2014 2014 0 2016 2017 2018 2017
    2018 2018 0 2020 2021 2022 2021 2022 2022 0
    2024 2025 2026 2025 2026 2026 0 2028 2029 2030
    2029 2030 2030 0 2032 2033 2034 2033 2034 2034
       0 2036 2037 2038 2037 2038 2038 0 2040 2041
    2042 2041 2042 2042 0 2044 2045 2046 2045 2046
    2046 0
%FLAG HBOND_ACOEF
%FORMAT(5E16.8)
  0.00000000E+00
%FLAG HBOND_BCOEF
%FORMAT(5E16.8)
  0.00000000E+00
%FLAG HBCUT
%FORMAT(5E16.8)
  0.00000000E+00
%FLAG AMBER_ATOM_TYPE
%FORMAT(20a4)
CT HC HC CT HC CT HC HC HC CT HC HC HC HC OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP
%FLAG TREE_CHAIN_CLASSIFICATION
%FORMAT(20a4)
BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E M S E E M S E E M S E E M S
E E M S E E
%FLAG JOIN_ARRAY
%FORMAT(10I8)
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       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
       0 0 0 0 0 0 0 0 0 0
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%FLAG IROTAT
%FORMAT(10I8)
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%FLAG SOLVENT_POINTERS
%FORMAT(3I8)
       1 509 2
%FLAG ATOMS_PER_MOLECULE
%FORMAT(10I8)
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%FLAG BOX_DIMENSIONS
%FORMAT(5E16.8)
  1.09471219E+02 2.94608414E+01 2.94608414E+01 2.94608414E+01
%FLAG RADII
%FORMAT(5E16.8)
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  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01
  8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01
  8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01
  8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01
  8.00000000E-01
%FLAG PERT_BOND_ATOMS
%FORMAT(10I8)
       0 3 0 6 0 9 0 39 9 12
       9 15 9 27 15 18 15 21 15 24
      27 30 27 33 27 36
%FLAG PERT_BOND_PARAMS
%FORMAT(10I8)
       1 1 3 1 1 3 3 1 1 1
       1 1 1 2 2 4 2 2 4 4
       2 2 2 2 2 2
%FLAG PERT_ANGLE_ATOMS
%FORMAT(10I8)
       0 9 12 0 9 15 0 9 27 3
       0 6 3 0 9 3 0 39 6 0
       9 6 0 39 9 0 39 9 15 18
       9 15 21 9 15 24 9 27 30 9
      27 33 9 27 36 12 9 15 12 9
      27 15 9 27 18 15 21 18 15 24
      21 15 24 30 27 33 30 27 36 33
      27 36
%FLAG PERT_ANGLE_PARAMS
%FORMAT(10I8)
       1 3 3 5 1 5 1 5 1 1
       1 1 1 1 1 1 1 3 5 5
       5 5 5 5 2 4 4 6 2 6
       2 6 2 2 2 2 2 2 2 2
       2 4 6 6 6 6 6 6
%FLAG PERT_DIHEDRAL_ATOMS
%FORMAT(10I8)
       0 9 15 18 0 9 15 21 0 9
      15 24 0 9 27 30 0 9 27 33
       0 9 27 36 3 0 9 12 3 0
       9 15 3 0 9 27 6 0 9 12
       6 0 9 15 6 0 9 27 39 0
       9 12 12 9 15 18 12 9 15 21
      12 9 15 24 12 9 27 30 12 9
      27 33 12 9 27 36 39 0 9 15
      15 9 27 30 15 9 27 33 15 9
      27 36 18 15 9 27 21 15 9 27
      24 15 9 27 39 0 9 27
%FLAG PERT_DIHEDRAL_PARAMS
%FORMAT(10I8)
       1 1 1 1 1 1 2 1 1 2
       1 1 2 2 2 2 2 2 2 1
       1 1 1 1 1 1 1 1 1 1
       1 1 1 2 1 1 2 1 1 2
       2 2 2 2 2 2 1 1 1 1
       1 1 1 1
%FLAG PERT_RESIDUE_NAME
%FORMAT(20a4)
LEU WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT
%FLAG PERT_ATOM_NAME
%FORMAT(20a4)
CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23HB1 O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1 H2 EPW O H1
H2 EPW O H1 H2 EPW
%FLAG PERT_ATOM_SYMBOL
%FORMAT(20a4)
DC DH DH DC DH DC DH DH DH DC DH DH DH DH OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW
HW EP OW HW HW EP
%FLAG ALMPER
%FORMAT(5E16.8)
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%FLAG PERT_ATOM_TYPE_INDEX
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%FLAG PERT_CHARGE
%FORMAT(5E16.8)
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