0 mol 21 unq 0 iso 0 dist 5.27589 4.2995 7.30688 9.24767 8.60952 7.05407 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.19567 6.59001 9.0979 13.8606 10.7173 9.50614 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.19567 6.59001 9.0979 10.8355 14.5812 8.34145 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 9.28075 5.55348 7.80026 11.1847 9.85425 8.66724 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.30598 5.03358 8.52436 11.7192 10.6421 8.16401 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 8.65807 9.41378 7.15213 9.47287 5.23445 7.5573 numMergedOcc 0
6 mol 130 unq 1 iso 0 dist 8.65807 7.46055 8.86516 9.47287 5.23445 9.58633 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 9.5214 10.0341 5.03696 16.9025 7.95609 8.32353 numMergedOcc 0
8 mol 195 unq 0 iso 0 dist 8.3941 11.5968 7.75518 13.5745 7.83764 6.396 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 6.58174 5.10199 5.81438 7.59666 5.9546 9.26214 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 6.58174 5.10199 5.81438 6.51936 5.9943 5.00369 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 7.24175 10.996 8.44407 6.28826 5.77142 8.25329 numMergedOcc 0
12 mol 214 unq 1 iso 0 dist 7.24175 5.055 6.0155 6.28826 5.77142 4.85332 numMergedOcc 0
13 mol 214 unq 2 iso 0 dist 7.24175 10.6488 8.89981 17.1678 11.2245 9.43017 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.33143 15.2642 7.50697 16.033 10.685 6.46405 numMergedOcc 0
15 mol 273 unq 0 iso 0 dist 7.29081 4.3735 6.95569 12.7672 9.73521 9.02537 numMergedOcc 0
16 mol 292 unq 0 iso 0 dist 9.73559 8.29235 6.78424 13.8564 5.1002 8.1635 numMergedOcc 0
17 mol 292 unq 1 iso 0 dist 9.73559 11.5319 7.32002 13.8564 5.1002 6.22943 numMergedOcc 0
18 mol 292 unq 2 iso 0 dist 9.73559 11.5319 7.32002 16.8894 7.99979 9.31056 numMergedOcc 0
