0 mol 5 unq 0 iso 0 dist 6.81899 6.28914 8.97274 6.01866 6.86923 3.14155 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.91509 6.28914 7.5815 6.01866 4.60775 3.14155 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.38747 7.15351 6.87842 16.276 8.94643 11.4558 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 8.99724 6.51818 6.87842 15.0049 8.94643 11.4558 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.13608 4.62392 8.22628 7.23274 5.42426 5.11803 numMergedOcc 0
5 mol 32 unq 1 iso 0 dist 7.13608 12.1285 9.82819 7.23274 5.42426 5.27648 numMergedOcc 0
6 mol 32 unq 2 iso 0 dist 9.46895 11.4081 8.22628 6.59787 5.42426 5.11803 numMergedOcc 0
7 mol 32 unq 3 iso 0 dist 9.46895 4.56364 9.82819 6.59787 5.42426 5.27648 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 7.62469 4.9903 8.21247 6.1032 6.57978 5.14161 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 9.79657 9.60708 8.8645 10.6247 8.52681 4.88527 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 9.79657 9.60708 8.8645 7.07594 9.98769 5.56357 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.8089 6.21234 8.4416 9.57279 6.64921 4.69555 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 9.8089 7.08619 7.79538 9.57279 6.64921 6.49084 numMergedOcc 0
13 mol 83 unq 0 iso 0 dist 7.9309 7.89284 7.93119 6.60457 5.13041 8.9239 numMergedOcc 0
14 mol 83 unq 1 iso 0 dist 7.9309 9.76251 5.25361 6.60457 5.13041 3.62753 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 8.5614 9.88447 7.95751 4.49266 5.28634 5.83839 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 8.5614 8.09962 5.39002 4.49266 5.28634 3.7404 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 9.61 4.21146 8.0732 6.68581 6.42361 5.19008 numMergedOcc 0
18 mol 147 unq 1 iso 0 dist 9.61 4.21146 8.0732 4.60169 7.4121 5.27556 numMergedOcc 0
19 mol 147 unq 2 iso 0 dist 9.61 8.49014 5.93918 6.68581 6.42361 3.7729 numMergedOcc 0
20 mol 147 unq 3 iso 0 dist 9.61 8.49014 5.93918 4.60169 7.4121 6.34165 numMergedOcc 0
21 mol 158 unq 0 iso 0 dist 8.95432 11.7299 7.68074 5.70473 7.76952 7.53461 numMergedOcc 0
22 mol 158 unq 1 iso 0 dist 8.95432 11.7299 7.68074 17.2865 9.98554 13.5303 numMergedOcc 0
23 mol 158 unq 2 iso 0 dist 8.95432 17.16 9.1854 5.70473 7.76952 15.3696 numMergedOcc 0
24 mol 158 unq 3 iso 0 dist 8.95432 17.16 9.1854 17.2865 9.98554 5.09517 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.60838 13.1601 8.09915 5.21542 8.92335 12.7357 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 7.6409 9.55695 6.84679 11.1208 8.35588 3.11607 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 7.35677 10.7796 7.92513 6.81831 5.95109 5.54474 numMergedOcc 0
28 mol 225 unq 0 iso 0 dist 7.0412 13.5014 8.69052 9.71885 6.35772 5.31124 numMergedOcc 0
29 mol 244 unq 0 iso 0 dist 6.2667 4.69103 8.93589 7.17774 9.45199 4.99117 numMergedOcc 0
30 mol 244 unq 1 iso 0 dist 6.2667 4.69103 8.93589 5.2958 9.07512 7.28456 numMergedOcc 0
31 mol 249 unq 0 iso 0 dist 5.70674 6.46947 8.56493 5.63037 9.04147 3.54511 numMergedOcc 0
32 mol 271 unq 0 iso 0 dist 5.76281 7.4613 9.86908 6.06968 9.97897 3.38326 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 8.47385 4.53492 5.83857 10.2357 5.44942 5.96434 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 8.44356 4.53492 5.32839 10.2357 7.82157 5.96434 numMergedOcc 0
35 mol 287 unq 2 iso 0 dist 8.44356 4.53492 5.32839 5.27788 8.39976 7.33038 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 8.47385 4.53492 5.83857 10.2357 5.44942 5.96434 numMergedOcc 0
37 mol 288 unq 1 iso 0 dist 8.44356 4.53492 5.32839 10.2357 7.82157 5.96434 numMergedOcc 0
38 mol 288 unq 2 iso 0 dist 8.44356 4.53492 5.32839 5.27788 8.39976 7.33038 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 8.47385 4.53492 5.83857 10.2357 5.44942 5.96434 numMergedOcc 0
40 mol 289 unq 1 iso 0 dist 8.44356 4.53492 5.32839 10.2357 7.82157 5.96434 numMergedOcc 0
41 mol 289 unq 2 iso 0 dist 8.44356 4.53492 5.32839 5.27788 8.39976 7.33038 numMergedOcc 0
