0 mol 1 unq 0 iso 0 dist 6.2936 7.69087 7.46399 9.40027 3.81243 9.84681 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.58962 6.71226 6.40741 14.6048 10.8237 9.45239 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.95325 5.64203 6.40741 14.4582 10.8237 9.45239 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.68989 5.82846 6.99001 12.8301 5.20775 8.94842 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.68989 5.82846 6.99001 14.4272 8.11954 9.9555 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.18097 14.4152 5.79841 20.0063 10.8586 6.2454 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 8.83135 6.87788 5.79841 8.52436 10.8586 6.2454 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 8.03113 4.44169 6.63731 8.28931 3.82942 8.75205 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 9.2638 13.3535 6.63731 10.1311 3.82942 8.75205 numMergedOcc 0
9 mol 126 unq 0 iso 0 dist 6.62527 7.68024 6.39634 14.1008 8.04438 9.6866 numMergedOcc 0
10 mol 126 unq 1 iso 0 dist 6.62527 7.68024 6.39634 9.93116 3.77183 9.52509 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.71007 6.50283 6.37143 9.09014 9.84473 7.11411 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 9.77704 6.51997 7.32163 8.09064 3.92992 5.20262 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 8.2232 11.3094 6.69623 13.3658 5.70985 5.83021 numMergedOcc 0
14 mol 206 unq 1 iso 0 dist 8.2232 9.69198 6.21951 13.3658 5.70985 9.18711 numMergedOcc 0
15 mol 206 unq 2 iso 0 dist 6.07229 8.73597 6.69623 11.0712 5.70985 5.83021 numMergedOcc 0
16 mol 206 unq 3 iso 0 dist 6.07229 4.95828 6.21951 11.0712 5.70985 9.18711 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 7.63191 5.21449 6.14304 9.88747 9.98266 5.27487 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 5.94449 9.69939 6.12347 5.61134 3.70525 5.60922 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 8.61452 9.69939 8.79637 5.61134 5.61412 5.60922 numMergedOcc 0
20 mol 279 unq 2 iso 0 dist 7.66302 8.76427 8.16582 13.7464 9.85432 5.8845 numMergedOcc 0
