0 mol 20 unq 0 iso 0 dist 8.98326 9.37411 3.21365 9.00405 4.36087 7.47395 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.98326 9.37411 3.21365 7.86889 7.09639 9.78752 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.6834 5.42968 11.1587 4.30555 7.7447 8.25818 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.6834 5.94343 8.72577 4.30555 7.7447 10.2171 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.09085 7.51631 7.18877 11.023 5.64092 12.4458 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 6.09085 7.51631 7.18877 8.24064 8.71074 7.7485 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.73435 9.85325 5.36604 15.4242 8.39955 13.2603 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 8.56119 9.9934 6.79809 9.62606 9.80913 11.7064 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 8.57607 8.6356 8.96713 6.56529 4.3439 10.6299 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 6.1991 8.6356 10.6694 6.56529 6.05855 10.6299 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 8.71812 8.83566 3.43966 6.28158 7.54274 6.55227 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 9.70796 6.85177 13.7198 7.64279 8.93091 10.1862 numMergedOcc 0
12 mol 169 unq 1 iso 0 dist 9.70796 8.88729 15.5677 7.64279 8.93091 14.517 numMergedOcc 0
13 mol 169 unq 2 iso 0 dist 8.89822 7.07933 3.59996 12.9917 4.11374 6.96715 numMergedOcc 0
14 mol 169 unq 3 iso 0 dist 8.89822 7.07933 3.59996 12.2955 8.37602 11.3131 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 8.09403 9.98096 8.73 9.24858 5.23187 11.5442 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 8.09403 8.24035 9.71065 9.24858 5.23187 11.2966 numMergedOcc 0
17 mol 184 unq 2 iso 0 dist 8.09403 8.77932 3.30691 9.24858 5.23187 8.53111 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.00537 9.6283 8.85948 16.5552 9.17458 14.7362 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 9.00537 9.6283 8.85948 14.3824 7.36794 11.7285 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 8.9388 8.86574 16.2492 9.09753 9.17458 14.0911 numMergedOcc 0
21 mol 186 unq 3 iso 0 dist 8.9388 8.86574 16.2492 6.7472 7.36794 11.9419 numMergedOcc 0
22 mol 193 unq 0 iso 0 dist 5.06367 8.29723 9.3899 9.34378 6.94187 12.6747 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 6.51936 8.47283 4.05102 10.816 7.33774 9.93489 numMergedOcc 0
24 mol 204 unq 1 iso 0 dist 6.51936 8.47283 4.05102 4.27546 6.39122 7.64057 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 5.56977 6.26596 5.22858 6.35783 8.7434 10.8477 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 6.28826 7.93054 4.16963 12.7192 8.49349 10.7359 numMergedOcc 0
27 mol 214 unq 2 iso 0 dist 6.28826 7.93054 4.16963 4.26898 6.50654 7.42759 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 6.19564 8.90109 9.94995 9.96926 7.49606 11.9844 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 7.12723 5.93983 3.14843 8.32005 4.27826 5.88958 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 7.12723 5.93983 3.14843 7.07384 5.82074 7.78121 numMergedOcc 0
