0 mol 43 unq 0 iso 0 dist 7.53564 7.62469 6.44784 9.17086 10.323 5.39546 5.90113 9.74445 10.0804 8.80331 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.10175 6.29755 12.1689 6.54183 10.1356 5.58127 5.65405 5.59773 9.89662 8.10861 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 6.10175 7.4038 11.8364 6.54183 10.1356 5.54544 5.65405 5.59773 11.7963 8.10861 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 8.16299 11.2674 7.80518 13.6586 9.68526 14.8693 20.257 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.02351 6.7939 5.4653 8.16299 11.2674 7.80518 10.3774 7.26679 7.23812 8.70481 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 7.02351 6.7939 5.4653 8.16299 11.2674 7.80518 4.15333 9.30776 10.5158 10.1207 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 7.02351 6.85356 4.63063 8.16299 11.2674 11.6012 13.6586 9.68526 11.7079 20.257 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 7.02351 6.85356 4.63063 8.16299 11.2674 11.6012 10.3774 7.26679 10.396 8.70481 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 7.02351 6.85356 4.63063 8.16299 11.2674 11.6012 4.15333 9.30776 10.4252 10.1207 numMergedOcc 0
9 mol 101 unq 0 iso 0 dist 5.51185 7.11476 4.84084 9.3485 4.79998 4.59715 9.11989 8.77773 13.2895 12.0459 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 9.40608 9.63161 5.18899 6.24392 7.01529 4.7848 5.50061 9.54928 10.2273 6.06638 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 9.5355 7.21779 7.46089 7.15087 13.1936 9.15453 10.106 8.48413 13.55 14.7391 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 9.5355 7.21779 7.46089 7.15087 13.1936 9.15453 8.68855 7.57458 10.1001 9.2313 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 8.84852 9.27341 7.53439 9.60838 5.43283 9.48798 9.50073 9.10619 8.41774 13.7502 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 7.10689 7.99609 9.50337 8.7419 8.81265 4.81992 5.01062 8.7347 7.73634 6.00706 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 7.10689 7.99609 9.50337 8.5834 4.28891 9.69122 5.01062 8.7347 7.73634 7.54212 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 5.00735 9.32781 4.85368 5.62804 7.07028 9.33469 6.33989 8.43766 10.0551 6.7547 numMergedOcc 0
17 mol 230 unq 1 iso 0 dist 5.00735 9.32781 4.85368 9.3619 11.491 14.1107 6.33989 8.43766 10.0551 11.5044 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 6.59521 8.73425 5.27718 8.21585 9.22664 5.90131 5.13233 8.58088 9.04358 6.42289 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 6.59521 9.65711 9.46467 8.21585 9.22664 4.51422 5.13233 8.58088 10.0455 6.42289 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.42812 6.40125 10.3278 7.07459 13.8339 12.8864 10.7202 8.57532 10.7815 16.7427 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 9.42812 6.40125 10.3278 7.07459 13.8339 12.8864 17.0927 9.02914 17.4393 21.6043 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 9.42812 6.40125 10.3278 7.07459 13.8339 12.8864 16.2915 6.90434 16.0291 20.2357 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 9.9227 6.38295 11.4101 8.80588 4.95798 8.26589 5.80223 8.85762 7.96485 6.0664 numMergedOcc 0
