0 mol 28 unq 0 iso 0 dist 8.60461 5.85197 5.38074 8.06843 4.15828 6.31089 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.60461 7.47027 9.07545 8.06843 4.15828 7.07502 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.60461 5.11301 6.77538 8.06843 4.15828 8.48468 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.74341 10.9324 9.87677 13.2429 5.27573 9.71949 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 5.77804 3.74136 7.85041 8.61597 11.5028 6.46217 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.70951 10.7632 9.05798 12.2806 3.71283 8.34342 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 9.70951 5.89251 5.85818 12.2806 3.71283 7.62197 numMergedOcc 0
7 mol 140 unq 0 iso 0 dist 9.53229 10.9413 8.01587 19.0812 12.9241 8.3735 numMergedOcc 0
8 mol 146 unq 0 iso 0 dist 9.39237 10.1462 8.68349 11.0295 6.19717 8.71836 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 7.9061 5.78019 5.1101 12.8036 7.97454 7.19893 numMergedOcc 0
10 mol 147 unq 1 iso 0 dist 7.9061 5.78019 5.1101 10.4198 3.547 6.37938 numMergedOcc 0
11 mol 147 unq 2 iso 0 dist 4.48898 5.78019 7.01133 12.8036 13.3536 7.19893 numMergedOcc 0
12 mol 147 unq 3 iso 0 dist 4.48898 5.78019 7.01133 10.4198 9.88741 6.37938 numMergedOcc 0
13 mol 147 unq 4 iso 0 dist 6.36426 4.52246 5.1101 9.88424 7.97454 7.19893 numMergedOcc 0
14 mol 147 unq 5 iso 0 dist 6.36426 4.52246 5.1101 7.50372 3.547 6.37938 numMergedOcc 0
15 mol 147 unq 6 iso 0 dist 7.06711 4.52246 7.01133 9.88424 13.3536 7.19893 numMergedOcc 0
16 mol 147 unq 7 iso 0 dist 7.06711 4.52246 7.01133 7.50372 9.88741 6.37938 numMergedOcc 0
17 mol 147 unq 8 iso 0 dist 7.6489 5.88056 5.1101 5.79819 7.97454 7.19893 numMergedOcc 0
18 mol 147 unq 9 iso 0 dist 7.6489 5.88056 5.1101 6.03024 3.547 6.37938 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 7.63085 4.19444 6.39981 6.51748 5.30823 8.06621 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 7.06919 11.1891 7.01126 12.3275 5.31608 6.90373 numMergedOcc 0
21 mol 182 unq 0 iso 0 dist 6.76894 6.38456 8.89822 13.3345 15.2041 8.62437 numMergedOcc 0
22 mol 182 unq 1 iso 0 dist 6.76894 6.38456 8.89822 10.6765 9.61248 7.07405 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 9.70674 10.0849 5.42696 6.2669 3.72865 5.19567 numMergedOcc 0
24 mol 255 unq 0 iso 0 dist 7.60846 5.94208 6.6475 12.1885 12.3928 8.56885 numMergedOcc 0
25 mol 255 unq 1 iso 0 dist 7.60846 5.94208 6.6475 9.91674 5.02523 5.54361 numMergedOcc 0
26 mol 255 unq 2 iso 0 dist 7.60846 5.94208 6.6475 8.66655 6.71212 7.73503 numMergedOcc 0
