0 mol 55 unq 0 iso 0 dist 8.6545 5.91098 6.71884 5.95334 6.32571 5.80038 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 6.34231 11.0284 9.97224 6.85145 8.21985 4.86242 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 7.56624 10.8096 4.87767 7.69536 7.79997 9.07904 numMergedOcc 0
3 mol 71 unq 1 iso 0 dist 7.56624 10.8096 4.87767 10.2387 8.5293 5.91313 numMergedOcc 0
4 mol 71 unq 2 iso 0 dist 7.56624 10.8096 4.87767 12.4002 8.54194 5.0189 numMergedOcc 0
5 mol 71 unq 3 iso 0 dist 8.83594 5.45829 4.87767 14.0254 7.79997 9.07904 numMergedOcc 0
6 mol 71 unq 4 iso 0 dist 8.83594 5.45829 4.87767 10.6369 8.5293 5.91313 numMergedOcc 0
7 mol 71 unq 5 iso 0 dist 8.83594 5.45829 4.87767 7.24811 8.54194 5.0189 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 7.03608 12.7143 7.67702 12.4674 9.58164 5.17209 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 6.98104 10.7986 5.38954 11.6272 9.77482 12.4058 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 6.98104 10.7986 5.38954 11.7596 9.0428 9.30367 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.59967 17.1974 9.29989 6.60331 6.77398 12.3075 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.59967 17.1974 9.29989 12.2305 5.68207 5.46508 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 5.79433 6.72224 8.96779 5.76685 6.33375 4.72977 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 5.79433 6.72224 8.96779 6.60331 8.06229 13.1289 numMergedOcc 0
15 mol 136 unq 0 iso 0 dist 7.19283 12.4023 8.7469 11.8466 9.46264 11.2597 numMergedOcc 0
16 mol 136 unq 1 iso 0 dist 7.19283 7.42778 9.89967 11.8466 9.46264 16.9765 numMergedOcc 0
17 mol 136 unq 2 iso 0 dist 5.95839 5.3281 8.7469 10.9658 9.46264 11.2597 numMergedOcc 0
18 mol 136 unq 3 iso 0 dist 5.95839 12.6943 9.89967 10.9658 9.46264 16.9765 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 9.44435 10.3445 9.59193 7.35247 9.65224 6.02772 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 6.8631 12.4468 8.14413 4.61036 6.94875 9.42795 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 6.8314 7.03383 9.5831 6.47584 6.553 11.2839 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 6.8314 7.03383 9.5831 5.31917 6.5097 11.9454 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 7.38265 4.49451 7.42888 4.7348 8.20751 5.28906 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 7.68949 11.5883 7.42888 14.7268 8.20751 5.28906 numMergedOcc 0
