0 mol 16 unq 0 iso 0 dist 8.59049 6.21616 6.86055 5.70228 4.7319 7.65889 5.61445 11.0958 6.42835 10.2656 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.59049 9.45103 12.9201 5.70228 4.7319 13.1847 5.61445 11.0958 6.57331 10.2656 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.59049 9.45103 12.9201 5.70228 4.7319 13.1847 12.5048 15.8605 8.43054 16.4761 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 6.23095 9.39274 4.77954 10.747 7.31767 11.0249 11.5983 6.03987 7.99919 4.51512 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 9.22151 9.95169 5.18617 4.96681 7.57578 9.48085 12.2441 12.7009 9.49421 10.9391 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 6.22122 9.95169 5.68041 4.96681 7.17969 9.48085 12.2441 12.8117 9.49421 10.9391 numMergedOcc 0
6 mol 52 unq 0 iso 0 dist 7.70026 8.01537 6.68648 13.9113 7.34143 10.3447 7.32157 11.1139 9.12226 13.8185 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 6.7212 8.16985 7.47371 11.6369 9.96708 7.12321 10.1721 10.8086 9.74228 5.36766 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 6.7212 8.16985 7.47371 11.6369 9.96708 7.12321 6.12361 9.78528 6.21799 8.24309 numMergedOcc 0
9 mol 72 unq 2 iso 0 dist 6.7212 8.16985 7.47371 6.12361 9.78528 6.21799 10.1721 10.8086 9.74228 7.04035 numMergedOcc 0
10 mol 72 unq 3 iso 0 dist 6.7212 8.16985 7.47371 6.12361 9.78528 6.21799 11.6369 9.96708 7.12321 8.24309 numMergedOcc 0
11 mol 72 unq 4 iso 0 dist 6.7212 7.81344 9.67587 11.6369 9.96708 9.35457 6.12361 9.78528 5.03251 8.24309 numMergedOcc 0
12 mol 72 unq 5 iso 0 dist 6.7212 7.81344 9.67587 11.6369 9.96708 9.35457 11.4334 15.1902 9.56773 10.1538 numMergedOcc 0
13 mol 72 unq 6 iso 0 dist 6.7212 7.81344 9.67587 6.12361 9.78528 5.03251 11.4334 15.1902 9.56773 5.8486 numMergedOcc 0
14 mol 72 unq 7 iso 0 dist 6.7212 5.49421 7.07356 11.6369 9.96708 12.1131 6.12361 9.78528 7.66093 8.24309 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 8.05602 4.79891 7.03983 12.0507 5.08437 9.89095 4.72129 6.48948 7.02507 9.51923 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 8.05602 4.79891 7.03983 12.0339 6.10456 12.7417 4.72129 6.48948 7.02507 9.42358 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 5.70279 5.30117 5.47563 5.85449 6.65086 9.94341 5.92158 7.47343 5.35782 8.8807 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 5.70279 5.30117 5.47563 7.68675 6.56369 9.82522 5.92158 7.47343 5.35782 12.6515 numMergedOcc 0
19 mol 100 unq 2 iso 0 dist 5.70279 5.30117 5.47563 9.53223 9.30209 13.4844 5.92158 7.47343 5.35782 13.887 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 6.23966 8.46972 6.28232 5.16275 9.61051 11.3039 10.1294 10.1333 5.51197 10.4792 numMergedOcc 0
21 mol 129 unq 1 iso 0 dist 6.23966 8.46972 6.28232 6.65856 5.83384 11.7541 10.1294 10.1333 5.51197 14.6152 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 9.79004 4.79003 6.9945 10.0277 7.24514 10.4642 7.33132 8.22656 7.22643 6.65743 numMergedOcc 0
23 mol 142 unq 0 iso 0 dist 7.15087 5.90339 4.67662 8.68855 9.2313 7.81207 5.50176 5.31024 6.14151 5.32922 numMergedOcc 0
24 mol 142 unq 1 iso 0 dist 7.15087 5.90339 4.67662 5.50176 5.31024 6.14151 8.68855 9.2313 7.81207 5.32922 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 5.47561 8.51427 6.84862 10.6375 8.01589 14.4477 5.60111 7.21333 5.56538 13.3522 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 5.47561 8.51427 6.84862 5.39098 7.7699 10.0233 5.60111 7.21333 5.56538 5.24516 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 9.73411 5.31916 7.05804 14.1073 8.95269 13.2325 8.98459 10.103 6.99769 10.9861 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 9.73411 5.31916 7.05804 14.1073 8.95269 13.2325 9.81806 6.57273 8.79428 4.70378 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 9.73411 5.31916 7.05804 14.1073 8.95269 13.2325 5.99647 5.78342 6.8692 11.5372 numMergedOcc 0
30 mol 224 unq 3 iso 0 dist 9.73411 5.31916 7.05804 9.81806 6.57273 8.79428 8.98459 10.103 6.99769 6.77699 numMergedOcc 0
31 mol 224 unq 4 iso 0 dist 9.73411 5.31916 7.05804 9.81806 6.57273 8.79428 5.99647 5.78342 6.8692 8.49799 numMergedOcc 0
32 mol 224 unq 5 iso 0 dist 9.73411 5.31916 7.05804 5.99647 5.78342 6.8692 8.98459 10.103 6.99769 11.328 numMergedOcc 0
33 mol 224 unq 6 iso 0 dist 9.73411 5.31916 7.05804 5.99647 5.78342 6.8692 9.81806 6.57273 8.79428 8.49799 numMergedOcc 0
34 mol 224 unq 7 iso 0 dist 7.75485 5.31916 4.54188 5.99647 5.81334 6.8692 8.98459 10.9745 6.99769 11.328 numMergedOcc 0
35 mol 224 unq 8 iso 0 dist 7.75485 5.31916 4.54188 5.99647 5.81334 6.8692 9.81806 10.5128 8.79428 8.49799 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 5.75874 6.95658 6.73882 5.20592 8.53687 9.07743 6.80302 10.5767 7.66153 4.69778 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 8.80588 6.16546 4.90315 8.30978 6.53701 6.02353 5.80223 6.0664 6.86234 5.51836 numMergedOcc 0
38 mol 280 unq 1 iso 0 dist 8.80588 6.16546 4.90315 5.80223 6.0664 6.86234 8.30978 6.53701 6.02353 5.51836 numMergedOcc 0
