0 mol 78 unq 0 iso 0 dist 8.61468 11.1106 9.84346 9.45835 7.17843 9.23023 numMergedOcc 0
1 mol 78 unq 1 iso 0 dist 6.27186 11.1106 9.46472 9.45835 4.4651 9.23023 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 8.68497 11.4303 5.96486 11.3066 5.65355 9.08307 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 8.28452 6.68968 9.64281 8.29529 14.0364 8.89481 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 8.44004 12.1395 9.64281 18.9382 14.0364 8.89481 numMergedOcc 0
5 mol 123 unq 0 iso 0 dist 7.69478 4.29103 6.4879 10.1854 4.07494 8.67193 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 5.7232 6.45157 7.12336 8.94909 5.37072 5.86531 numMergedOcc 0
7 mol 183 unq 0 iso 0 dist 8.53483 13.4834 5.44125 11.7243 4.81807 5.83071 numMergedOcc 0
8 mol 183 unq 1 iso 0 dist 8.53483 13.4834 5.44125 17.9523 10.0008 7.07224 numMergedOcc 0
9 mol 183 unq 2 iso 0 dist 8.53483 13.4834 5.44125 16.6434 11.2316 9.82101 numMergedOcc 0
10 mol 183 unq 3 iso 0 dist 8.58404 11.5857 5.44125 13.1323 4.81807 5.83071 numMergedOcc 0
11 mol 183 unq 4 iso 0 dist 8.58404 11.5857 5.44125 17.0649 10.0008 7.07224 numMergedOcc 0
12 mol 183 unq 5 iso 0 dist 8.58404 11.5857 5.44125 19.7459 11.2316 9.82101 numMergedOcc 0
13 mol 183 unq 6 iso 0 dist 8.1126 11.5857 7.11505 13.1323 5.92045 5.83071 numMergedOcc 0
14 mol 183 unq 7 iso 0 dist 8.1126 11.5857 7.11505 17.0649 9.95614 7.07224 numMergedOcc 0
15 mol 183 unq 8 iso 0 dist 8.1126 11.5857 7.11505 19.7459 12.9864 9.82101 numMergedOcc 0
16 mol 183 unq 9 iso 0 dist 8.50695 9.60638 8.7143 11.5806 7.68618 5.83071 numMergedOcc 0
17 mol 183 unq 10 iso 0 dist 8.50695 9.60638 8.7143 15.2229 9.81623 7.07224 numMergedOcc 0
18 mol 183 unq 11 iso 0 dist 8.50695 9.60638 8.7143 12.9507 4.73001 9.82101 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 5.76319 7.42251 7.556 7.84536 4.57882 6.25429 numMergedOcc 0
20 mol 196 unq 1 iso 0 dist 5.76319 7.42251 7.556 10.2561 6.70722 6.87731 numMergedOcc 0
21 mol 196 unq 2 iso 0 dist 5.30132 10.0417 7.556 7.07723 4.57882 6.25429 numMergedOcc 0
22 mol 196 unq 3 iso 0 dist 5.30132 10.0417 7.556 11.7823 6.70722 6.87731 numMergedOcc 0
23 mol 196 unq 4 iso 0 dist 8.36119 7.06113 7.556 10.6609 4.57882 6.25429 numMergedOcc 0
24 mol 196 unq 5 iso 0 dist 8.36119 7.06113 7.556 8.69629 6.70722 6.87731 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 7.09776 6.34974 7.50665 9.09043 5.44171 7.50424 numMergedOcc 0
26 mol 256 unq 0 iso 0 dist 9.36652 13.4771 7.14598 12.5837 6.4717 7.67598 numMergedOcc 0
27 mol 256 unq 1 iso 0 dist 7.54613 9.58759 7.14598 10.215 6.4717 7.67598 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 8.62592 8.95242 8.37512 14.862 8.27707 9.59174 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 8.93002 6.00285 9.05363 5.29682 6.64729 5.90645 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 6.83706 11.3955 5.30455 10.0986 8.70769 9.12507 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 5.76223 11.6897 8.35169 10.7611 8.04474 7.53641 numMergedOcc 0
