0 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 8.16305 7.78327 13.5229 17.2998 10.6 6.81066 17.844 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 7.62357 9.02471 12.6657 12.9096 14.0634 9.89546 18.2871 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.06275 10.4413 6.20293 7.62357 9.02471 14.0654 12.6245 6.09486 9.07906 10.4804 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 8.90024 13.9129 8.80331 16.9091 9.02471 12.6657 19.3401 14.0634 9.89546 18.2871 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 8.90024 5.84171 6.20293 16.9091 9.02471 14.0654 8.07389 6.09486 9.07906 10.4804 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 9.70016 13.2553 5.86073 13.586 9.59585 13.0914 10.8928 4.38244 5.94552 13.9641 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 9.70016 13.2553 5.86073 5.90637 9.7073 12.5818 10.8928 4.38244 5.94552 12.6725 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 5.06555 5.61914 6.44653 8.14689 6.42623 3.824 6.21509 4.98499 8.1671 9.43682 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 5.06555 5.61914 6.44653 5.74365 8.95899 4.96885 6.21509 4.98499 8.1671 8.0564 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 8.34839 10.5295 6.70283 14.1262 9.00072 4.73288 12.5281 5.97115 8.86966 7.78215 numMergedOcc 0
10 mol 152 unq 1 iso 0 dist 8.34839 10.7929 7.16148 14.1262 9.00072 4.70284 12.5281 5.97115 5.7527 7.78215 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 6.53913 12.4033 9.87651 5.60897 5.36671 12.8624 7.71402 6.38496 5.72735 9.87581 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 6.28961 5.3864 8.49164 12.9917 9.37946 17.056 6.58855 4.19562 6.21943 13.5154 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 6.28961 5.3864 8.49164 12.2955 9.13646 13.8168 6.58855 4.19562 6.21943 12.1835 numMergedOcc 0
14 mol 169 unq 2 iso 0 dist 6.28961 5.3864 8.49164 11.6543 8.34216 11.1511 6.58855 4.19562 6.21943 9.66151 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 12.3914 4.72821 4.69387 9.89989 4.43082 8.4173 6.53017 numMergedOcc 0
16 mol 178 unq 1 iso 0 dist 8.04723 10.5681 7.17202 12.3914 4.72821 7.39705 9.89989 4.43082 6.55543 6.53017 numMergedOcc 0
17 mol 231 unq 0 iso 0 dist 6.02527 6.68357 7.37839 11.6594 9.9868 16.456 10.2768 6.58152 7.31553 14.2243 numMergedOcc 0
18 mol 231 unq 1 iso 0 dist 6.02527 6.68357 7.37839 7.54254 7.3268 6.63423 10.2768 6.58152 7.31553 5.45266 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 7.8128 5.49043 5.4638 9.83176 8.08965 4.75609 10.7445 4.60986 8.95981 10.1399 numMergedOcc 0
