0 mol 44 unq 0 iso 0 dist 7.89712 6.54204 8.28079 10.6242 7.74211 6.11574 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 6.96052 4.66466 8.28079 9.12845 7.74211 6.11574 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.46263 9.34149 6.25196 7.34695 5.05748 6.29755 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 6.46263 13.5048 8.88159 7.34695 5.05748 7.4038 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 7.55718 7.29064 9.43192 5.45733 5.49536 9.8048 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 9.04371 10.2676 5.51155 17.9885 9.08459 9.83234 numMergedOcc 0
6 mol 91 unq 1 iso 0 dist 6.50917 10.2676 8.29601 17.9885 12.6858 9.83234 numMergedOcc 0
7 mol 91 unq 2 iso 0 dist 8.56547 8.92868 8.18876 11.9242 9.10719 9.83234 numMergedOcc 0
8 mol 91 unq 3 iso 0 dist 5.23177 8.92868 5.51155 11.9242 9.08459 9.83234 numMergedOcc 0
9 mol 91 unq 4 iso 0 dist 6.77052 8.92868 8.29601 11.9242 12.6858 9.83234 numMergedOcc 0
10 mol 96 unq 0 iso 0 dist 6.80014 12.0817 8.40684 13.7061 7.7528 8.71026 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 7.3098 11.0301 8.96628 10.6298 5.85333 8.09751 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 9.90038 15.767 8.96628 14.516 5.85333 8.09751 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 7.59407 12.3741 5.62903 11.2696 4.33372 6.39026 numMergedOcc 0
14 mol 125 unq 0 iso 0 dist 9.505 17.3752 9.5205 15.7217 6.57549 8.44933 numMergedOcc 0
15 mol 125 unq 1 iso 0 dist 9.505 14.0615 7.1608 15.7217 6.57549 7.43803 numMergedOcc 0
16 mol 125 unq 2 iso 0 dist 5.33187 11.3588 9.5205 11.2546 6.57549 8.44933 numMergedOcc 0
17 mol 125 unq 3 iso 0 dist 5.33187 8.11254 7.1608 11.2546 6.57549 7.43803 numMergedOcc 0
18 mol 174 unq 0 iso 0 dist 7.97746 6.76607 8.36618 9.68098 10.67 9.56869 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 9.24924 7.04495 8.57375 11.6348 5.72409 6.93798 numMergedOcc 0
20 mol 283 unq 1 iso 0 dist 9.72248 9.44903 8.57375 13.0785 5.72409 6.93798 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 7.80478 12.2037 4.75392 10.876 6.76834 8.44356 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 9.22409 6.95862 4.75392 13.3802 6.76834 8.44356 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 7.80478 12.2037 4.75392 10.876 6.76834 8.44356 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 9.22409 6.95862 4.75392 13.3802 6.76834 8.44356 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.80478 12.2037 4.75392 10.876 6.76834 8.44356 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 9.22409 6.95862 4.75392 13.3802 6.76834 8.44356 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 8.10763 5.70751 8.17727 8.67773 7.70951 9.60309 numMergedOcc 0
