0 mol 24 unq 0 iso 0 dist 4.93188 7.6222 4.87192 8.23075 4.21283 7.18124 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 4.93188 7.6222 4.87192 4.7841 4.97191 6.47026 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.24958 11.7026 4.87192 10.551 4.21283 7.18124 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.24958 11.7026 4.87192 14.1707 4.97191 6.47026 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 6.77886 11.2895 7.3576 10.3805 3.91174 6.28905 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.00777 6.62562 6.00564 14.7287 14.3481 9.43843 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 8.00777 6.62562 6.00564 9.01812 4.06365 7.67463 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 7.1589 5.46695 6.00564 12.1279 14.3481 9.43843 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 7.1589 5.46695 6.00564 9.90583 4.06365 7.67463 numMergedOcc 0
9 mol 111 unq 0 iso 0 dist 7.71107 6.3561 6.98727 5.98809 3.75797 7.24101 numMergedOcc 0
10 mol 140 unq 0 iso 0 dist 8.64368 9.0558 7.53759 12.4216 4.77448 7.08834 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 9.02318 5.29844 6.49708 11.9962 3.94083 8.88297 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 9.74542 6.55924 6.49708 13.3633 3.94083 8.88297 numMergedOcc 0
13 mol 148 unq 2 iso 0 dist 7.97543 9.61708 6.49708 11.4505 3.94083 8.88297 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 9.6606 6.62435 6.45018 13.3193 3.99423 8.82984 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 7.85526 9.72618 6.45018 11.3898 3.99423 8.82984 numMergedOcc 0
16 mol 150 unq 2 iso 0 dist 8.94552 5.50847 6.45018 11.9796 3.99423 8.82984 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 6.20182 5.05715 6.00293 7.93088 5.21512 9.67872 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 6.26839 11.1912 7.39369 11.7672 10.0237 8.93352 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 8.12346 6.11279 7.39369 11.0369 10.0237 8.93352 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 8.83356 9.99597 7.39369 15.9798 10.0237 8.93352 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 8.2654 9.50345 7.39369 15.7836 10.0237 8.93352 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 8.44861 9.73907 7.85966 11.5794 10.2944 8.42716 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 5.60393 12.3578 7.85966 13.4668 10.2944 8.42716 numMergedOcc 0
24 mol 230 unq 0 iso 0 dist 6.41286 10.3804 7.81987 12.7396 8.20635 8.89873 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 7.67245 7.0588 7.92718 5.35705 5.78276 4.76359 numMergedOcc 0
26 mol 278 unq 1 iso 0 dist 9.12395 3.65013 7.92718 6.64378 5.78276 4.76359 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 5.31728 6.40962 5.04032 6.71946 4.12133 7.8605 numMergedOcc 0
