0 mol 6 unq 0 iso 0 dist 9.38351 9.47965 4.59751 13.9523 6.36157 10.7638 14.255 9.56016 14.0989 4.75733 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 6.73481 9.12482 6.31736 9.50033 7.50258 12.5611 3.97609 6.04161 10.7109 5.97852 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 8.55004 6.50216 13.7524 7.24502 8.84151 13.5325 7.23303 7.73836 13.1926 5.2887 numMergedOcc 0
3 mol 51 unq 1 iso 0 dist 8.55004 9.83073 10.3853 7.24502 8.84151 13.2357 7.23303 7.73836 15.0427 5.2887 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.34804 6.23298 10.2575 10.7182 8.27009 11.1591 3.77705 6.44825 9.06101 11.2455 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 8.34804 6.23298 10.2575 5.66613 5.80736 10.5819 3.77705 6.44825 9.06101 3.83735 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.34752 9.2167 12.8972 10.0813 5.2184 15.8979 11.6896 8.93181 18.755 3.84072 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 9.34752 6.67306 5.7998 10.0813 5.2184 9.53895 11.6896 8.93181 12.8678 3.84072 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.17051 9.63488 13.6469 5.9683 9.2759 14.5752 3.75291 5.9959 13.276 4.85121 numMergedOcc 0
9 mol 139 unq 0 iso 0 dist 5.77343 8.27507 6.5333 4.19005 8.78382 8.66615 4.37138 7.20542 9.07404 3.82037 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 5.31333 9.89709 9.79728 4.43567 9.2254 12.9319 9.03587 5.27578 13.507 12.8633 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 8.40718 5.67196 11.2342 12.4189 6.20044 15.675 12.5259 5.81438 16.4188 7.35194 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 8.40718 5.67196 11.2342 12.8445 8.41232 17.678 12.5259 5.81438 16.4188 5.87202 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 9.17911 6.18894 11.4659 15.4705 8.10903 18.7483 11.5766 9.6327 17.0978 8.78474 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 9.17911 6.18894 11.4659 13.8539 7.25618 15.748 11.5766 9.6327 17.0978 11.3267 numMergedOcc 0
15 mol 258 unq 2 iso 0 dist 9.52903 9.4886 12.9877 5.66907 8.10903 14.4707 11.7204 9.6327 17.8582 8.78474 numMergedOcc 0
16 mol 258 unq 3 iso 0 dist 9.52903 9.4886 12.9877 9.6053 7.25618 16.7565 11.7204 9.6327 17.8582 11.3267 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 6.73794 8.78928 4.62586 3.92089 5.78262 9.57582 3.80794 8.66133 10.2471 5.53908 numMergedOcc 0
18 mol 273 unq 1 iso 0 dist 6.73794 8.78928 4.62586 3.92089 5.78262 9.57582 13.255 6.95569 5.63226 12.7125 numMergedOcc 0
19 mol 273 unq 2 iso 0 dist 6.73794 8.78928 4.62586 12.0094 7.6489 11.4985 3.80794 8.66133 10.2471 12.7274 numMergedOcc 0
20 mol 273 unq 3 iso 0 dist 6.73794 8.78928 4.62586 12.0094 7.6489 11.4985 13.255 6.95569 5.63226 10.8576 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 7.47179 8.34389 10.9407 6.53276 6.45597 13.1573 9.23896 6.06665 15.8219 5.19406 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 7.47179 8.34389 10.9407 6.53276 6.45597 13.1573 9.23896 6.06665 15.8219 5.19406 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 7.47179 8.34389 10.9407 6.53276 6.45597 13.1573 9.23896 6.06665 15.8219 5.19406 numMergedOcc 0
