0 mol 36 unq 0 iso 0 dist 7.11464 6.73215 9.16388 7.23823 5.39321 6.63518 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 8.04708 11.5556 9.70029 19.0371 14.0851 8.86053 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 8.04708 11.5556 9.70029 13.7181 6.8989 8.76925 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 5.39827 9.60458 5.67362 9.54478 5.04866 7.77128 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 6.25276 13.6156 9.61367 15.429 10.7367 9.225 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.7389 6.66677 4.73362 11.9113 4.98309 9.225 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 8.7389 4.88793 7.3795 10.0937 7.75939 5.37449 numMergedOcc 0
7 mol 76 unq 3 iso 0 dist 8.7389 4.88793 7.3795 11.9113 4.98309 9.52666 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 8.6317 11.1148 8.2793 14.4554 6.58625 8.44933 numMergedOcc 0
9 mol 125 unq 1 iso 0 dist 8.6317 11.1148 8.2793 12.1824 6.67445 7.43803 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 9.45931 15.773 7.38183 18.0682 9.5453 8.5614 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 6.49728 6.1421 7.38183 8.97819 9.5453 8.5614 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 6.97467 13.9009 8.32841 10.9908 5.6621 5.50879 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 6.97467 11.549 6.56065 10.9908 5.6621 6.69157 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 9.90113 8.75166 8.24791 8.80787 5.81787 9.68937 numMergedOcc 0
15 mol 203 unq 0 iso 0 dist 9.31742 6.98545 8.83947 9.58178 6.40721 7.72215 numMergedOcc 0
16 mol 203 unq 1 iso 0 dist 9.31742 6.98545 8.83947 9.52542 4.76871 5.46529 numMergedOcc 0
17 mol 203 unq 2 iso 0 dist 6.89817 10.347 8.83947 10.3373 6.40721 7.72215 numMergedOcc 0
18 mol 203 unq 3 iso 0 dist 6.89817 10.347 8.83947 9.80432 4.76871 5.46529 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 9.20651 5.27976 6.82883 7.64898 4.66376 8.24741 numMergedOcc 0
20 mol 226 unq 1 iso 0 dist 9.20651 4.67471 8.22518 7.64898 4.66376 5.07958 numMergedOcc 0
21 mol 226 unq 2 iso 0 dist 9.20651 13.1475 6.02803 7.64898 4.66376 6.19519 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 5.62568 4.64631 8.53802 7.7368 5.1517 7.58907 numMergedOcc 0
23 mol 287 unq 1 iso 0 dist 8.82948 16.9403 8.53802 13.3409 5.1517 7.58907 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 5.62568 4.64631 8.53802 7.7368 5.1517 7.58907 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 8.82948 16.9403 8.53802 13.3409 5.1517 7.58907 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 5.62568 4.64631 8.53802 7.7368 5.1517 7.58907 numMergedOcc 0
27 mol 289 unq 1 iso 0 dist 8.82948 16.9403 8.53802 13.3409 5.1517 7.58907 numMergedOcc 0
