0 mol 21 unq 0 iso 0 dist 5.27589 8.90496 10.3127 9.24767 8.60952 3.76294 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.3613 7.66913 14.1987 5.39587 9.0284 9.12176 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.3613 7.66913 14.1987 6.47252 14.6063 9.21138 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.32436 9.46449 7.13002 6.94712 5.17091 3.81228 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 9.16791 9.71247 7.94795 7.21134 10.1031 5.1678 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 9.16791 4.95459 9.41369 7.21134 10.1031 11.1059 numMergedOcc 0
6 mol 69 unq 2 iso 0 dist 6.57452 9.71247 10.3982 7.21134 9.81292 5.1678 numMergedOcc 0
7 mol 69 unq 3 iso 0 dist 6.57452 4.95459 5.25902 7.21134 9.81292 11.1059 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.23755 8.64736 10.9054 7.10218 4.93697 12.669 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 5.84349 8.4204 9.61054 7.84956 5.64279 12.8132 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 5.84349 8.4204 9.61054 8.57607 8.32734 15.7954 numMergedOcc 0
11 mol 95 unq 2 iso 0 dist 5.84349 8.4204 9.61054 6.1991 4.79063 10.4348 numMergedOcc 0
12 mol 95 unq 3 iso 0 dist 5.84349 8.4204 9.61054 5.96246 4.05985 5.88327 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 6.88956 7.74778 4.85893 5.62245 6.86277 4.21859 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 7.60412 4.76028 6.08127 8.59103 4.57343 7.14708 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 9.82711 4.89256 11.1068 6.6014 7.90985 5.91388 numMergedOcc 0
16 mol 128 unq 1 iso 0 dist 7.94925 9.95168 16.6305 6.78833 9.41812 8.8442 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 8.65807 7.35647 9.37324 9.47287 5.23445 10.5637 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 5.19029 5.08086 5.65957 8.8639 7.17096 5.75739 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 5.19029 5.08086 5.65957 7.32009 7.88526 5.46083 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.42226 6.19189 6.0361 6.04336 5.74718 3.78314 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 8.42226 6.19189 6.0361 9.00537 5.85073 4.03697 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 8.3941 5.0778 8.18632 8.08491 13.7639 5.60628 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 9.292 9.42329 4.78637 9.94292 4.86533 3.93305 numMergedOcc 0
24 mol 226 unq 0 iso 0 dist 8.64849 8.31751 9.77425 8.34875 5.32326 5.99712 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 5.46484 5.27184 8.52618 5.9625 7.69003 3.86189 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 5.46484 7.98527 5.37989 5.9625 7.69003 5.69926 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 7.95918 4.76698 9.60961 8.19223 7.37194 12.3914 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 6.20998 8.31182 9.63118 7.30349 10.7368 10.0756 numMergedOcc 0
29 mol 266 unq 1 iso 0 dist 8.78219 8.31182 16.0335 7.30349 15.1414 10.0756 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 6.85288 5.02385 6.69582 9.88022 7.38256 11.7578 numMergedOcc 0
31 mol 279 unq 1 iso 0 dist 6.85288 5.02385 6.69582 7.26637 5.37778 4.05042 numMergedOcc 0
32 mol 279 unq 2 iso 0 dist 6.85288 5.02385 6.69582 9.88198 15.8183 9.85432 numMergedOcc 0
