0 mol 45 unq 0 iso 0 dist 7.97558 6.72134 6.01423 8.98789 3.61653 8.50375 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.88172 6.82593 7.6481 9.78668 10.7828 8.55712 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.91141 11.5311 7.10439 14.0518 7.98468 7.78587 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 5.79841 5.71795 6.05495 8.77872 5.22259 5.61151 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 5.79841 5.71795 6.05495 10.2652 7.66499 6.54289 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.2131 5.02124 7.1539 7.36335 9.04084 7.03417 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 7.44343 6.12826 6.72712 7.36335 3.87825 5.32369 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 7.44343 5.02124 5.39745 7.36335 3.87825 7.03417 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 7.78223 6.64548 6.13559 9.00059 3.67473 8.61909 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 6.63731 7.15601 6.49383 9.60481 4.13755 6.28029 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 7.35385 10.3678 7.31037 9.80185 3.80763 6.50336 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 9.80549 8.51234 8.00449 7.43587 5.16197 9.68074 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 9.92671 5.30261 7.10413 13.7741 9.85068 8.49913 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 5.68253 11.0142 9.25517 8.33309 3.64991 7.35086 numMergedOcc 0
14 mol 234 unq 1 iso 0 dist 5.68253 6.7061 7.22019 8.33309 3.64991 6.81195 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 6.20377 10.2924 7.95766 12.6016 6.82702 9.11149 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 5.4347 5.28695 7.02079 9.94177 5.88357 8.08777 numMergedOcc 0
17 mol 250 unq 0 iso 0 dist 9.62767 6.27402 5.97993 12.9788 4.14699 8.73744 numMergedOcc 0
18 mol 250 unq 1 iso 0 dist 9.62767 9.6195 6.44252 12.9788 4.14699 6.61917 numMergedOcc 0
19 mol 250 unq 2 iso 0 dist 5.99119 5.85862 5.97993 8.54286 4.14699 8.73744 numMergedOcc 0
20 mol 250 unq 3 iso 0 dist 5.99119 6.88928 6.44252 8.54286 4.14699 6.61917 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 9.69025 15.1483 8.71497 12.7065 9.75001 9.28024 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 7.49913 4.98228 5.40318 6.80043 6.31696 5.94614 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 8.9316 5.89971 5.59555 9.78064 3.96271 7.77225 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 8.9316 5.89971 5.59555 9.77377 5.39801 5.50067 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 8.9316 5.89971 5.59555 9.78064 3.96271 7.77225 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 8.9316 5.89971 5.59555 9.77377 5.39801 5.50067 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 8.9316 5.89971 5.59555 9.78064 3.96271 7.77225 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 8.9316 5.89971 5.59555 9.77377 5.39801 5.50067 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 9.46421 5.737 5.7131 7.83983 4.30125 3.93401 numMergedOcc 0
