0 mol 21 unq 0 iso 0 dist 8.07914 5.0018 3.91407 6.0636 10.9094 7.01701 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.85737 9.21068 9.47657 6.75063 10.8893 6.55728 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.22152 9.58718 9.8765 7.79018 13.3728 6.63216 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.22152 9.31263 8.95572 6.87351 13.9066 9.39956 numMergedOcc 0
4 mol 29 unq 0 iso 0 dist 7.50258 5.94216 11.6887 4.88729 10.7148 9.09425 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 8.204 7.75449 6.73037 4.5844 7.13565 9.26667 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.84944 6.65308 6.77798 6.09807 14.2732 9.79127 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.84944 6.65308 6.77798 7.20713 6.57633 9.96858 numMergedOcc 0
8 mol 63 unq 0 iso 0 dist 6.49343 7.87739 11.0084 5.82517 10.9406 6.8848 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.90896 7.55565 6.51072 11.5216 9.79061 8.95637 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 6.54194 7.65495 4.50796 5.54074 10.1701 8.50364 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 8.91354 9.00799 9.01897 5.09341 9.84288 5.97918 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 5.83719 7.34368 4.49551 7.4454 9.35701 6.81354 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.65031 6.83034 6.41178 7.28039 7.94976 9.91528 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 9.96635 7.41387 4.1393 7.76298 7.68074 8.41697 numMergedOcc 0
15 mol 158 unq 1 iso 0 dist 9.96635 7.41387 4.1393 8.17573 9.1854 9.2016 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.46819 7.39604 8.8081 7.52497 10.8142 9.61582 numMergedOcc 0
17 mol 198 unq 0 iso 0 dist 7.86075 8.95625 4.13224 10.335 12.2027 9.56078 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.48545 7.55125 5.89242 3.28983 9.993 9.24224 numMergedOcc 0
19 mol 240 unq 0 iso 0 dist 7.19218 6.40555 9.07016 5.79131 11.8505 7.39852 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 9.8165 7.7033 9.45777 7.23383 13.69 5.96416 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 9.0836 9.27812 4.07542 7.02474 11.0602 9.0654 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 9.62494 9.27812 8.72214 7.02474 12.1404 9.0654 numMergedOcc 0
23 mol 284 unq 0 iso 0 dist 7.74965 8.45942 9.36278 14.1802 13.4665 9.2632 numMergedOcc 0
24 mol 284 unq 1 iso 0 dist 7.74965 8.45942 9.36278 11.9492 13.0377 5.83416 numMergedOcc 0
