CPPTRAJ: Trajectory Analysis. V14.01 ___ ___ ___ ___ | \/ | \/ | \/ | _|_/\_|_/\_|_/\_|_ Reading '../2pc_ind_wt.top' as Amber Topology INPUT: Reading Input from file atommap.ptraj [parm ../2pc_ind_wt.top] Warning: Parm '../2pc_ind_wt.top' already loaded, skipping. [reference ../2pc_ind_wt.pdb] Reading '../2pc_ind_wt.pdb' as PDB '2pc_ind_wt.pdb' is a PDB file, Parm ../2pc_ind_wt.top (reading 1 of 1) [parm complex.top] Reading 'complex.top' as Amber Topology [reference complex.pdb parmindex 1] Reading 'complex.pdb' as PDB 'complex.pdb' is a PDB file, Parm complex.top (reading 1 of 1) [atommap ../2pc_ind_wt.pdb complex.pdb mapout atommap.dat] ATOMMAP: Atoms in trajectories associated with parm ../2pc_ind_wt.top will be mapped according to parm complex.top. Map will be written to atommap.dat Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Atom 3167:C31 in reference is unique but not mapped! Warning: mapByIndex: Atom 3168:C32 in reference is unique but not mapped! Warning: mapByIndex: Atom 3180:C12 in reference is unique but not mapped! Warning: mapByIndex: Atom 3183:C13 in reference is unique but not mapped! Warning: mapByIndex: Atom 3184:C14 in reference is unique but not mapped! Warning: mapUniqueRefToTgt: Ref 3184:C14 has multiple potential matches among Tgt [3186:C16 , 3184:C14 ] Warning: mapByIndex: Atom 3184:C14 bonded to Ref 3185:C15 has too many matches. Warning: mapByIndex: Atom 3198:H23 in reference is unique but not mapped! Warning: mapByIndex: Atom 3199:C21 in reference is unique but not mapped! Warning: mapByIndex: Atom 3200:O3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3201:N4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3202:H46 in reference is unique but not mapped! Warning: mapByIndex: Atom 3204:H31 in reference is unique but not mapped! Warning: mapChiral: Ref atom 3201:N4 is complete but Tgt atom 3201:N4 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3201:N4 is complete but Tgt atom 3201:N4 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Atom 3167:C31 in reference is unique but not mapped! Warning: mapByIndex: Atom 3180:C12 in reference is unique but not mapped! Warning: mapByIndex: Atom 3183:C13 in reference is unique but not mapped! Warning: mapByIndex: Atom 3184:C14 in reference is unique but not mapped! Warning: mapByIndex: Atom 3198:H23 in reference is unique but not mapped! Warning: mapByIndex: Atom 3199:C21 in reference is unique but not mapped! Warning: mapByIndex: Atom 3200:O3 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3201:N4 is complete but Tgt atom 3201:N4 is not. Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3201:N4 is complete but Tgt atom 3201:N4 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3201:N4 is complete but Tgt atom 3201:N4 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3180:C12 in reference is unique but not mapped! Warning: mapByIndex: Atom 3183:C13 in reference is unique but not mapped! Warning: mapByIndex: Atom 3198:H23 in reference is unique but not mapped! Warning: mapByIndex: Atom 3199:C21 in reference is unique but not mapped! Warning: mapUniqueRefToTgt: Ref 3199:C21 has multiple potential matches among Tgt [3199:C21 , 3180:C12 ] Warning: mapByIndex: Atom 3200:O3 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3201:N4 is complete but Tgt atom 3201:N4 is not. Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3201:N4 is complete but Tgt atom 3201:N4 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapChiral: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. Warning: mapByIndex: Atom 3134:C4 in reference is unique but not mapped! Warning: mapByIndex: Atom 3143:N2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3144:H47 in reference is unique but not mapped! Warning: mapByIndex: Atom 3145:C3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3146:O1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3147:C2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3148:H3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3149:C1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3152:N1 in reference is unique but not mapped! Warning: mapByIndex: Atom 3153:C9 in reference is unique but not mapped! Warning: mapByIndex: Atom 3156:C8 in reference is unique but not mapped! Warning: mapByIndex: Atom 3159:N3 in reference is unique but not mapped! Warning: mapByIndex: Atom 3160:C10 in reference is unique but not mapped! Warning: mapByIndex: Atom 3163:C11 in reference is unique but not mapped! Warning: mapByIndex: Atom 3164:O2 in reference is unique but not mapped! Warning: mapByIndex: Atom 3165:H20 in reference is unique but not mapped! Warning: mapByIndex: Atom 3166:H19 in reference is unique but not mapped! Warning: mapByIndex: Ref atom 3167:C31 #bonds (3) does not match Tgt atom 3153:C31 (4) Warning: mapByIndex: Atom 3178:H40 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Atom 3179:H41 bonded to Ref 3167:C31 has too many matches. Warning: mapByIndex: Ref atom 3180:C12 #bonds (3) does not match Tgt atom 3180:C12 (4) Warning: mapByIndex: Atom 3181:H21 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Atom 3182:H22 bonded to Ref 3180:C12 has too many matches. Warning: mapByIndex: Ref atom 3199:C21 #bonds (2) does not match Tgt atom 3199:C21 (3) Warning: mapByIndex: Ref atom 3201:N4 #bonds (2) does not match Tgt atom 3201:N4 (3) Error: mapByIndex: Ref atom 3202:H46 is complete but Tgt atom 3202:H46 is not. 1616 total atoms were mapped. Warning: AtomMap: Not all atoms were mapped. Frames will not be modified. [trajin ../2pc_ind_wt.pdb] Reading '../2pc_ind_wt.pdb' as PDB [trajout reordered.pdb pdb ] Writing 'reordered.pdb' as PDB ---------- RUN BEGIN ------------------------------------------------- PARAMETER FILES: 0: '../2pc_ind_wt.top', 3221 atoms, 199 res, box: None, 3 mol, 1 frames 1: 'complex.top', 3221 atoms, 203 res, box: None, 7 mol INPUT TRAJECTORIES: 0: '2pc_ind_wt.pdb' is a PDB file, Parm ../2pc_ind_wt.top (reading 1 of 1) Coordinate processing will occur on 1 frames. REFERENCE FRAMES (2 total): 0: '../2pc_ind_wt.pdb', frame 1 1: 'complex.pdb', frame 1 Active reference frame for masks is 0 OUTPUT TRAJECTORIES: 'reordered.pdb' is a PDB file, Parm ../2pc_ind_wt.top: Writing 1 frames (1-Last, 1) TIME: Run Initialization took 0.0000 seconds. BEGIN TRAJECTORY PROCESSING: ..................................................... ACTION SETUP FOR PARM '../2pc_ind_wt.top' (1 actions): 0: [atommap ../2pc_ind_wt.pdb complex.pdb mapout atommap.dat] ATOMMAP: maponly was specified, not using atom map during traj read. ----- 2pc_ind_wt.pdb (1-1, 1) ----- 100% Complete. Read 1 frames and processed 1 frames. TIME: Trajectory processing: 0.0088 s TIME: Avg. throughput= 113.4430 frames / second. ACTION OUTPUT: ---------- RUN END --------------------------------------------------- TIME: Total execution time: 23.3091 seconds. -------------------------------------------------------------------------------- To cite CPPTRAJ use: Daniel R. Roe and Thomas E. Cheatham, III, "PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data". J. Chem. Theory Comput., 2013, 9 (7), pp 3084-3095.