0 mol 26 unq 0 iso 0 dist 8.84763 5.21858 6.46104 10.6287 7.3022 11.0099 12.6272 4.03003 10.4427 7.7868 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.84763 6.29941 7.36856 10.6287 7.3022 4.74747 12.6272 4.03003 9.94775 7.7868 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.02731 11.4221 7.56205 7.29999 6.04903 11.7069 4.85282 7.46975 14.3699 8.84323 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 6.02731 4.05764 4.74544 7.29999 6.04903 5.49555 4.85282 7.46975 8.1599 8.84323 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 5.86118 6.24947 9.49144 8.6915 9.0008 13.2018 5.77675 4.31746 11.3095 5.70192 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 5.86118 6.24947 9.49144 8.6915 9.0008 13.2018 11.0748 7.58981 16.2773 7.65646 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 9.73325 11.209 9.72053 13.5529 6.90634 6.01663 18.9713 11.7935 10.5028 6.01132 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 9.73325 12.8735 7.7949 13.5529 6.90634 12.8559 18.9713 11.7935 17.7754 6.01132 numMergedOcc 0
8 mol 146 unq 0 iso 0 dist 6.28491 5.15943 8.84535 10.8638 9.44952 14.7359 15.991 11.2713 19.8643 9.77771 numMergedOcc 0
9 mol 146 unq 1 iso 0 dist 6.28491 5.67737 8.82188 10.8638 9.44952 7.00857 15.991 11.2713 14.7989 9.77771 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 9.89987 7.89844 6.2479 13.7713 9.06217 6.25083 13.1737 12.0718 9.86845 8.45395 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 9.89987 7.89844 6.2479 13.7713 9.06217 6.25083 16.8702 13.7282 12.5284 9.15368 numMergedOcc 0
12 mol 181 unq 2 iso 0 dist 9.89987 7.89844 6.2479 13.7713 9.06217 6.25083 16.5625 10.6331 12.0593 9.20477 numMergedOcc 0
13 mol 181 unq 3 iso 0 dist 9.89987 7.89844 6.2479 9.77651 7.13252 4.77278 13.1737 12.0718 9.86845 5.41368 numMergedOcc 0
14 mol 181 unq 4 iso 0 dist 9.89987 7.89844 6.2479 9.77651 7.13252 4.77278 16.8702 13.7282 12.5284 7.96182 numMergedOcc 0
15 mol 181 unq 5 iso 0 dist 9.89987 7.89844 6.2479 9.77651 7.13252 4.77278 16.5625 10.6331 12.0593 7.90237 numMergedOcc 0
16 mol 181 unq 6 iso 0 dist 9.89987 5.10258 6.22122 13.7713 9.06217 10.5753 13.1737 12.0718 9.58911 8.45395 numMergedOcc 0
17 mol 181 unq 7 iso 0 dist 9.89987 5.10258 6.22122 13.7713 9.06217 10.5753 16.8702 13.7282 12.7453 9.15368 numMergedOcc 0
18 mol 181 unq 8 iso 0 dist 9.89987 5.10258 6.22122 13.7713 9.06217 10.5753 16.5625 10.6331 11.622 9.20477 numMergedOcc 0
19 mol 181 unq 9 iso 0 dist 9.89987 5.10258 6.22122 9.77651 7.13252 5.88819 13.1737 12.0718 9.58911 5.41368 numMergedOcc 0
20 mol 181 unq 10 iso 0 dist 9.89987 5.10258 6.22122 9.77651 7.13252 5.88819 16.8702 13.7282 12.7453 7.96182 numMergedOcc 0
21 mol 181 unq 11 iso 0 dist 9.89987 5.10258 6.22122 9.77651 7.13252 5.88819 16.5625 10.6331 11.622 7.90237 numMergedOcc 0
22 mol 181 unq 12 iso 0 dist 9.89987 16.1714 7.99195 13.7713 9.06217 5.86342 13.1737 12.0718 13.0329 8.45395 numMergedOcc 0
23 mol 181 unq 13 iso 0 dist 9.89987 16.1714 7.99195 13.7713 9.06217 5.86342 16.8702 13.7282 12.9014 9.15368 numMergedOcc 0
24 mol 181 unq 14 iso 0 dist 9.89987 16.1714 7.99195 13.7713 9.06217 5.86342 16.5625 10.6331 10.3248 9.20477 numMergedOcc 0
25 mol 181 unq 15 iso 0 dist 9.89987 16.1714 7.99195 9.77651 7.13252 9.14057 13.1737 12.0718 13.0329 5.41368 numMergedOcc 0
26 mol 181 unq 16 iso 0 dist 9.89987 16.1714 7.99195 9.77651 7.13252 9.14057 16.8702 13.7282 12.9014 7.96182 numMergedOcc 0
27 mol 181 unq 17 iso 0 dist 9.89987 16.1714 7.99195 9.77651 7.13252 9.14057 16.5625 10.6331 10.3248 7.90237 numMergedOcc 0
28 mol 181 unq 18 iso 0 dist 9.91457 11.9245 5.94469 9.29611 7.05653 6.7991 12.378 6.78739 9.84952 6.17129 numMergedOcc 0
29 mol 181 unq 19 iso 0 dist 9.91457 11.9245 5.94469 9.29611 7.05653 6.7991 14.5426 11.3693 10.8641 5.83596 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 8.28099 14.6912 7.76163 9.25757 9.84492 10.5203 5.39622 5.18732 11.5247 9.08641 numMergedOcc 0
31 mol 186 unq 1 iso 0 dist 8.28099 6.15341 8.73217 9.25757 9.84492 11.7299 5.39622 5.18732 9.44405 9.08641 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 8.70651 9.88635 8.50102 14.7996 7.17337 8.78722 8.15743 6.36084 7.70279 9.61294 numMergedOcc 0
33 mol 232 unq 1 iso 0 dist 8.70651 5.08111 9.40808 14.7996 7.17337 13.5597 8.15743 6.36084 9.29752 9.61294 numMergedOcc 0
34 mol 243 unq 0 iso 0 dist 7.24253 6.54531 7.49645 5.32118 7.12785 5.70464 5.1766 3.87679 6.86162 7.77265 numMergedOcc 0
35 mol 243 unq 1 iso 0 dist 7.24253 6.54531 7.49645 11.4546 6.66959 7.83758 5.1766 3.87679 6.86162 9.65322 numMergedOcc 0
36 mol 243 unq 2 iso 0 dist 7.24253 6.54531 7.49645 11.4546 6.66959 7.83758 12.2579 5.40441 11.9954 6.9453 numMergedOcc 0
37 mol 243 unq 3 iso 0 dist 7.24253 11.6229 9.9222 5.32118 7.12785 10.3961 5.1766 3.87679 10.0226 7.77265 numMergedOcc 0
38 mol 243 unq 4 iso 0 dist 7.24253 11.6229 9.9222 11.4546 6.66959 7.8399 5.1766 3.87679 10.0226 9.65322 numMergedOcc 0
39 mol 243 unq 5 iso 0 dist 7.24253 11.6229 9.9222 11.4546 6.66959 7.8399 12.2579 5.40441 13.073 6.9453 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 9.98231 6.00315 7.98231 11.4659 8.71497 11.6195 16.0187 11.7116 12.348 9.53092 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 9.98231 5.69584 7.08526 11.4659 8.71497 5.79468 16.0187 11.7116 11.6963 9.53092 numMergedOcc 0
