0 mol 18 unq 0 iso 0 dist 8.17979 7.23594 10.6394 5.03451 4.96019 10.0997 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 4.10339 7.34019 9.45335 6.6055 6.03866 8.76585 numMergedOcc 0
2 mol 36 unq 1 iso 0 dist 4.10339 8.43828 5.98566 6.6055 6.03866 8.91922 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 6.30589 7.06199 7.29621 8.98545 9.58275 3.53534 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 7.14979 9.84668 7.43519 6.0662 7.8595 6.91113 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.20839 6.27528 8.8408 7.07055 6.65401 5.54818 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 5.72494 5.94478 6.07628 7.85115 11.4876 8.02001 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 8.70106 5.94478 10.2138 7.85115 11.2795 8.02001 numMergedOcc 0
8 mol 136 unq 0 iso 0 dist 9.67457 6.53519 10.4141 7.75661 6.80938 4.22085 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 9.76501 8.72463 7.03272 7.99127 7.57516 6.75249 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 8.60157 9.7168 5.77745 7.91749 3.54257 6.77599 numMergedOcc 0
11 mol 148 unq 1 iso 0 dist 8.60157 7.38138 11.2162 7.91749 3.54257 10.2375 numMergedOcc 0
12 mol 148 unq 2 iso 0 dist 6.72591 9.7168 12.9245 7.91749 8.03052 6.77599 numMergedOcc 0
13 mol 148 unq 3 iso 0 dist 6.72591 7.38138 10.5987 7.91749 8.03052 10.2375 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 8.59359 9.61132 5.71213 7.96309 3.59609 6.74495 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 8.59359 7.34423 11.2566 7.96309 3.59609 10.2651 numMergedOcc 0
16 mol 150 unq 2 iso 0 dist 6.80192 9.61132 12.8684 7.96309 8.06512 6.74495 numMergedOcc 0
17 mol 150 unq 3 iso 0 dist 6.80192 7.34423 10.4881 7.96309 8.06512 10.2651 numMergedOcc 0
18 mol 158 unq 0 iso 0 dist 6.45502 8.1504 5.16728 4.80508 7.82494 6.81208 numMergedOcc 0
19 mol 158 unq 1 iso 0 dist 6.45502 8.1504 5.16728 4.88625 5.34159 5.74997 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 6.5782 6.64164 6.43506 9.5648 8.2701 12.8624 numMergedOcc 0
21 mol 182 unq 0 iso 0 dist 7.03216 6.31492 9.72559 8.43599 5.28013 11.1685 numMergedOcc 0
22 mol 182 unq 1 iso 0 dist 9.42196 6.31492 13.9897 8.43599 5.89583 11.1685 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.98221 8.08787 9.13357 7.93815 12.6927 4.63377 numMergedOcc 0
24 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 8.42665 9.82858 12.1342 numMergedOcc 0
25 mol 198 unq 0 iso 0 dist 7.83611 5.80867 11.3233 7.48253 11.4181 4.27652 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 9.66533 9.01896 11.3575 7.81831 6.49466 7.79075 numMergedOcc 0
27 mol 276 unq 0 iso 0 dist 8.0652 7.11272 11.0506 9.97709 16.9357 9.89329 numMergedOcc 0
28 mol 276 unq 1 iso 0 dist 8.0652 6.24808 5.88008 9.97709 16.9357 12.1499 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 4.66252 9.22576 11.3048 8.08382 12.1302 6.68639 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 4.66252 9.22576 11.3048 8.08382 12.1302 6.68639 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 4.66252 9.22576 11.3048 8.08382 12.1302 6.68639 numMergedOcc 0
