0 mol 28 unq 0 iso 0 dist 8.60461 8.06843 4.15828 5.85197 5.38074 6.31089 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.60461 8.06843 4.15828 7.47027 9.07545 7.07502 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.60461 8.06843 4.15828 5.11301 6.77538 8.48468 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 6.11881 8.17454 9.69029 11.3391 7.4219 14.7796 numMergedOcc 0
4 mol 90 unq 1 iso 0 dist 6.11881 8.17454 9.69029 9.78924 7.30343 11.2433 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 5.77804 8.61597 11.5028 3.74136 7.85041 6.46217 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 9.02541 6.33923 11.4065 9.30538 9.41723 12.3768 numMergedOcc 0
7 mol 111 unq 1 iso 0 dist 9.02541 9.9801 10.4026 9.30538 9.41723 15.4321 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 7.9061 8.94352 12.9354 5.78019 5.1101 13.1125 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 4.48898 8.94352 6.60281 5.78019 7.01133 13.1125 numMergedOcc 0
10 mol 147 unq 2 iso 0 dist 6.36426 7.50372 3.547 4.52246 5.1101 6.37938 numMergedOcc 0
11 mol 147 unq 3 iso 0 dist 7.06711 7.50372 9.88741 4.52246 7.01133 6.37938 numMergedOcc 0
12 mol 147 unq 4 iso 0 dist 7.6489 5.39386 9.9402 5.88056 5.1101 9.032 numMergedOcc 0
13 mol 147 unq 5 iso 0 dist 7.6489 5.79819 7.97454 5.88056 5.1101 7.19893 numMergedOcc 0
14 mol 147 unq 6 iso 0 dist 7.6489 6.03024 3.547 5.88056 5.1101 6.37938 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 7.63085 6.51748 5.30823 4.19444 6.39981 8.06621 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 9.06161 7.73964 13.7209 10.5008 8.76185 17.9823 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 9.70674 6.2669 3.72865 14.4882 9.83885 10.0719 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 9.70674 6.2669 3.72865 10.0849 5.42696 5.19567 numMergedOcc 0
19 mol 240 unq 0 iso 0 dist 8.3417 7.8705 6.37959 5.02268 5.66537 8.93169 numMergedOcc 0
20 mol 255 unq 0 iso 0 dist 7.60846 8.66655 6.71212 5.94208 6.6475 7.73503 numMergedOcc 0
