0 mol 25 unq 0 iso 0 dist 8.66616 5.1218 8.41008 11.7842 12.4427 7.0928 9.83216 8.23292 6.32132 5.04899 numMergedOcc 0
1 mol 86 unq 0 iso 0 dist 8.45341 11.4158 7.18799 11.0739 5.19926 7.26032 10.0759 10.3472 5.91309 9.5497 numMergedOcc 0
2 mol 86 unq 1 iso 0 dist 8.45341 9.68657 8.4254 11.0739 5.19926 5.49793 10.0759 10.3472 5.82069 9.5497 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 6.15949 8.20626 5.66196 6.71345 5.24877 5.87387 6.49725 9.24515 6.4595 7.5732 numMergedOcc 0
4 mol 114 unq 1 iso 0 dist 6.15949 8.20626 5.66196 11.7295 8.47567 6.06543 13.1848 11.0684 5.51609 7.35754 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 6.44313 7.34635 6.78551 10.5967 6.28781 5.09114 11.7894 11.9171 6.01457 8.37808 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 6.7402 4.94726 8.2872 4.9155 7.46245 6.99089 9.30817 13.9196 10.1742 6.54501 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 6.7402 4.94726 8.2872 4.9155 7.46245 6.99089 10.879 13.403 12.6542 6.49416 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 8.21538 9.53929 9.42196 15.6024 13.9897 6.31492 14.1299 15.8237 7.48422 9.31746 numMergedOcc 0
9 mol 227 unq 0 iso 0 dist 8.32703 12.1436 9.09371 11.3699 5.71921 9.93154 16.4404 12.1015 6.78651 9.34734 numMergedOcc 0
10 mol 227 unq 1 iso 0 dist 8.32703 12.1436 9.09371 16.5808 9.08864 9.18218 16.4404 12.1015 6.78651 7.56888 numMergedOcc 0
11 mol 227 unq 2 iso 0 dist 8.32703 12.1436 9.09371 15.5504 8.98613 6.18486 16.4404 12.1015 6.78651 7.55216 numMergedOcc 0
12 mol 227 unq 3 iso 0 dist 8.25412 14.3715 9.09371 13.6898 5.71921 9.93154 19.4603 12.1015 6.78651 9.34734 numMergedOcc 0
13 mol 227 unq 4 iso 0 dist 8.25412 14.3715 9.09371 16.7007 9.08864 9.18218 19.4603 12.1015 6.78651 7.56888 numMergedOcc 0
14 mol 227 unq 5 iso 0 dist 8.25412 14.3715 9.09371 15.3272 8.98613 6.18486 19.4603 12.1015 6.78651 7.55216 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 7.4491 5.22097 7.00773 13.4868 9.4693 9.82174 15.0371 10.639 10.4397 6.57393 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 7.4491 5.22097 7.00773 13.5947 13.931 9.2521 17.6405 15.3135 12.8083 6.22714 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 7.4491 5.22097 7.00773 13.5947 13.931 9.2521 14.3323 10.7268 10.1821 7.31233 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 9.4344 12.7577 9.31855 16.6933 13.943 9.78185 24.6306 21.2167 17.5012 8.33025 numMergedOcc 0
19 mol 252 unq 1 iso 0 dist 9.4344 12.7577 9.31855 16.6933 13.943 9.78185 23.4393 22.8185 16.8096 9.2288 numMergedOcc 0
20 mol 252 unq 2 iso 0 dist 9.4344 12.7577 9.31855 16.6933 13.943 9.78185 12.8264 13.2003 6.79692 7.19638 numMergedOcc 0
21 mol 252 unq 3 iso 0 dist 5.41885 6.85131 9.31855 12.196 13.943 9.78185 20.3638 21.2167 17.5012 8.33025 numMergedOcc 0
22 mol 252 unq 4 iso 0 dist 5.41885 6.85131 9.31855 12.196 13.943 9.78185 19.9538 22.8185 16.8096 9.2288 numMergedOcc 0
23 mol 252 unq 5 iso 0 dist 5.41885 6.85131 9.31855 12.196 13.943 9.78185 9.00146 13.2003 6.79692 7.19638 numMergedOcc 0
24 mol 253 unq 0 iso 0 dist 7.76337 6.399 8.27377 13.0194 12.8819 7.0247 16.0706 18.9173 10.9027 9.02271 numMergedOcc 0
