0 mol 15 unq 0 iso 0 dist 9.09251 12.1533 8.37378 12.6653 4.64441 6.23015 6.64544 6.60595 10.1154 8.85174 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.61089 5.37898 5.33546 10.4651 4.0291 7.43127 5.92843 10.1201 6.79583 9.76379 numMergedOcc 0
2 mol 79 unq 1 iso 0 dist 8.64686 8.69896 5.33546 12.0233 4.0291 7.43127 15.4775 10.1201 6.79583 9.76379 numMergedOcc 0
3 mol 105 unq 0 iso 0 dist 6.1083 10.2375 6.09256 12.5727 6.79366 7.77089 15.8794 12.4271 11.0132 9.16718 numMergedOcc 0
4 mol 105 unq 1 iso 0 dist 6.1083 10.2375 6.09256 12.5727 6.79366 7.77089 11.0473 8.67414 9.96719 7.94633 numMergedOcc 0
5 mol 105 unq 2 iso 0 dist 6.11833 8.65154 8.40598 9.9108 4.59356 7.77089 11.5147 9.94398 11.0132 9.16718 numMergedOcc 0
6 mol 105 unq 3 iso 0 dist 6.11833 8.65154 8.40598 9.9108 4.59356 7.77089 14.1659 11.104 9.96719 7.94633 numMergedOcc 0
7 mol 105 unq 4 iso 0 dist 7.12201 11.2367 8.40598 10.6823 4.59356 7.77089 9.36409 9.94398 11.0132 9.16718 numMergedOcc 0
8 mol 105 unq 5 iso 0 dist 7.12201 11.2367 8.40598 10.6823 4.59356 7.77089 13.5084 11.104 9.96719 7.94633 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 7.6453 8.73165 9.7113 8.85652 6.31483 6.34626 4.80675 8.00624 4.92472 5.51197 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 9.40718 14.1039 9.2933 17.7213 15.7604 8.12266 12.5935 11.9989 5.63555 6.64173 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 9.40718 14.1039 9.2933 11.1521 9.35605 9.43306 12.5935 11.9989 5.63555 9.55105 numMergedOcc 0
12 mol 181 unq 2 iso 0 dist 9.40718 5.39949 8.77781 8.39573 9.76508 5.99437 12.5935 11.9989 7.20191 9.01624 numMergedOcc 0
13 mol 181 unq 3 iso 0 dist 9.40718 5.39949 8.77781 8.39573 9.76508 5.99437 4.681 10.9766 5.48529 5.05973 numMergedOcc 0
14 mol 181 unq 4 iso 0 dist 9.40718 5.39949 8.77781 11.1521 9.35605 8.4848 12.5935 11.9989 7.20191 9.55105 numMergedOcc 0
15 mol 198 unq 0 iso 0 dist 7.86075 6.51466 9.60514 10.4961 5.14649 8.63279 12.2253 11.2491 9.73871 9.31526 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.52029 16.9386 7.59757 22.4373 14.13 9.48625 18.5654 9.44947 5.86489 7.9133 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 7.03925 5.93235 6.84722 8.57781 4.67513 5.05368 15.4433 12.6229 10.7174 8.08349 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 7.03925 5.93235 6.84722 8.57781 4.67513 5.05368 10.8616 13.0626 6.51732 9.78218 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 6.28935 4.65019 8.70049 12.5346 11.4693 9.37336 11.0325 13.4233 6.65022 7.27993 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 6.28935 4.65019 8.70049 12.5346 11.4693 9.37336 9.84104 13.6079 5.42069 9.51168 numMergedOcc 0
21 mol 229 unq 2 iso 0 dist 6.28935 4.65019 8.70049 12.5346 11.4693 9.37336 14.5429 15.9876 10.2411 6.95201 numMergedOcc 0
22 mol 229 unq 3 iso 0 dist 8.4208 4.65019 9.55385 12.5346 11.1131 9.37336 11.0325 12.1268 6.65022 7.27993 numMergedOcc 0
23 mol 229 unq 4 iso 0 dist 8.4208 4.65019 9.55385 12.5346 11.1131 9.37336 9.84104 14.2393 5.42069 9.51168 numMergedOcc 0
24 mol 229 unq 5 iso 0 dist 8.4208 4.65019 9.55385 12.5346 11.1131 9.37336 14.5429 16.4957 10.2411 6.95201 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 5.78262 7.10817 9.16554 10.7274 8.8839 6.35532 10.2261 12.9809 4.60101 9.59325 numMergedOcc 0
26 mol 273 unq 1 iso 0 dist 5.78262 4.30863 8.83491 6.95569 12.7125 5.61969 11.0966 16.2765 7.81483 6.31969 numMergedOcc 0
27 mol 273 unq 2 iso 0 dist 7.6489 4.30863 9.02711 6.95569 10.8576 5.61969 11.0966 15.7926 7.81483 6.31969 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 6.66936 5.41599 9.35976 11.2458 13.1828 9.26157 11.6142 14.8509 6.28695 9.57499 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 6.66936 5.41599 9.35976 11.2458 13.1828 9.26157 6.16829 9.92831 4.37645 5.46926 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 6.66936 5.41599 9.35976 11.2458 13.1828 9.26157 7.44724 4.81916 7.70529 8.9682 numMergedOcc 0
31 mol 277 unq 3 iso 0 dist 8.15119 12.7485 9.35976 9.91103 13.1828 9.26157 16.3552 14.8509 6.28695 9.57499 numMergedOcc 0
32 mol 277 unq 4 iso 0 dist 8.15119 12.7485 9.35976 9.91103 13.1828 9.26157 10.4297 9.92831 4.37645 5.46926 numMergedOcc 0
33 mol 277 unq 5 iso 0 dist 8.15119 12.7485 9.35976 9.91103 13.1828 9.26157 5.77904 4.81916 7.70529 8.9682 numMergedOcc 0
