0 mol 132 unq 0 iso 0 dist 8.48641 9.0339 4.35917 14.2364 8.34869 6.2403 15.9368 11.5751 7.7059 6.04014 numMergedOcc 0
1 mol 132 unq 1 iso 0 dist 8.48641 9.0339 4.35917 8.84157 9.43748 6.495 15.9368 11.5751 7.7059 10.0823 numMergedOcc 0
2 mol 175 unq 0 iso 0 dist 7.04318 8.50904 6.2715 8.21784 6.73365 12.3723 8.09861 5.6234 9.0018 5.73338 numMergedOcc 0
3 mol 175 unq 1 iso 0 dist 7.04318 8.50904 6.2715 8.21784 6.73365 12.3723 10.1323 9.92231 7.652 12.753 numMergedOcc 0
4 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 13.2658 9.63295 18.8903 18.2027 20.225 9.1374 27.3918 numMergedOcc 0
5 mol 181 unq 1 iso 0 dist 6.96824 9.25528 11.9017 13.2658 9.63295 18.8903 11.4901 15.333 5.98885 23.4579 numMergedOcc 0
6 mol 181 unq 2 iso 0 dist 6.96824 9.25528 11.9017 13.2658 9.63295 18.8903 11.9545 14.4936 9.15386 23.6878 numMergedOcc 0
7 mol 204 unq 0 iso 0 dist 6.32652 7.92766 12.5143 3.96829 6.27396 7.7292 14.0488 19.1577 7.10633 13.4646 numMergedOcc 0
8 mol 204 unq 1 iso 0 dist 6.32652 7.92766 12.5143 3.96829 6.27396 7.7292 7.58285 13.8351 8.51516 9.54287 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 7.96424 8.93637 13.4403 4.36623 7.30244 11.6747 14.8074 14.106 9.23153 16.4118 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 7.96424 8.93637 13.4403 7.60777 9.58343 16.5354 14.8074 14.106 9.23153 21.4681 numMergedOcc 0
11 mol 220 unq 2 iso 0 dist 5.40366 8.93637 6.55533 4.36623 7.29796 11.6747 14.8074 9.55941 9.23153 16.4118 numMergedOcc 0
12 mol 259 unq 0 iso 0 dist 6.49599 9.34738 4.86771 6.96133 6.96379 11.7889 13.8605 7.88519 7.84554 12.7595 numMergedOcc 0
13 mol 259 unq 1 iso 0 dist 6.49599 9.47382 6.96053 6.96133 6.96379 11.1532 13.8605 7.88519 7.46176 12.7595 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 7.7309 7.26647 4.63549 11.0146 9.43169 13.1629 4.95196 10.0703 7.73141 13.7573 numMergedOcc 0
15 mol 261 unq 1 iso 0 dist 7.7309 7.26647 4.63549 11.0146 9.43169 13.1629 9.29412 6.05727 8.43057 6.5875 numMergedOcc 0
16 mol 272 unq 0 iso 0 dist 7.22438 7.66615 5.40809 10.4121 4.78812 6.62923 11.4664 13.2494 9.97651 11.9042 numMergedOcc 0
17 mol 272 unq 1 iso 0 dist 7.22438 7.66615 5.40809 10.4121 4.78812 6.62923 10.3544 8.33638 8.46116 5.27123 numMergedOcc 0
18 mol 272 unq 2 iso 0 dist 7.66615 7.22438 5.40809 10.4121 6.62923 4.78812 10.3544 8.46116 8.33638 5.27123 numMergedOcc 0
19 mol 276 unq 0 iso 0 dist 6.24808 7.11272 8.84158 7.74891 8.95876 14.6555 5.75852 11.1437 6.87396 12.2586 numMergedOcc 0
20 mol 282 unq 0 iso 0 dist 7.70229 7.90792 4.66602 5.64349 6.84554 9.51581 8.93697 8.76532 6.33524 9.67023 numMergedOcc 0
21 mol 282 unq 1 iso 0 dist 7.90792 7.70229 4.66602 5.64349 9.51581 6.84554 8.93697 6.33524 8.76532 9.67023 numMergedOcc 0
