0 mol 44 unq 0 iso 0 dist 9.52676 12.8173 5.81645 9.5746 7.48846 5.51351 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.0478 10.8539 9.20373 6.85941 9.17082 17.3249 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.3797 4.39946 8.67118 5.42651 6.74766 9.54097 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.7389 6.66677 4.73362 5.29835 8.95905 4.72225 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 8.7389 4.88793 7.3795 5.29835 8.95905 8.81518 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 7.43804 10.991 8.48678 13.8217 7.36769 8.83348 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 7.43804 10.991 8.48678 12.9299 6.88901 14.016 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 8.79499 7.34665 7.1754 7.40519 9.5057 9.82137 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 8.79499 7.34665 7.1754 5.43871 5.75014 4.42919 numMergedOcc 0
9 mol 125 unq 0 iso 0 dist 8.6317 11.1148 8.2793 6.24872 6.11502 6.27138 numMergedOcc 0
10 mol 125 unq 1 iso 0 dist 8.6317 11.1148 8.2793 10.4668 6.33431 5.61158 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 9.45931 15.773 7.38183 7.98447 6.75376 14.0112 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 6.49728 6.1421 7.38183 11.3904 6.75376 14.0112 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 6.97467 13.9009 8.32841 14.0762 8.21184 5.309 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 6.97467 13.9009 8.32841 12.9439 5.9976 6.07262 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 6.97467 11.549 6.56065 14.0762 8.21184 11.9245 numMergedOcc 0
16 mol 156 unq 3 iso 0 dist 6.97467 11.549 6.56065 12.9439 5.9976 6.25291 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 9.20651 5.27976 6.82883 5.87654 5.70795 4.97624 numMergedOcc 0
18 mol 226 unq 1 iso 0 dist 9.20651 4.67471 8.22518 5.87654 5.70795 5.55393 numMergedOcc 0
19 mol 226 unq 2 iso 0 dist 9.20651 13.1475 6.02803 5.87654 5.70795 9.35407 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 5.61727 7.07777 5.24993 8.51351 7.34931 4.47263 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 5.62568 4.64631 8.53802 5.48793 6.95912 9.52438 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 8.82948 16.9403 8.53802 10.7234 6.95912 9.52438 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 5.62568 4.64631 8.53802 5.48793 6.95912 9.52438 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 8.82948 16.9403 8.53802 10.7234 6.95912 9.52438 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 5.62568 4.64631 8.53802 5.48793 6.95912 9.52438 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 8.82948 16.9403 8.53802 10.7234 6.95912 9.52438 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 5.67671 6.74502 9.55425 5.30062 8.25485 11.7492 numMergedOcc 0
