0 mol 64 unq 0 iso 0 dist 9.5663 9.56181 5.59762 12.0987 5.66803 9.21546 20.6337 12.1186 15.7464 8.85416 numMergedOcc 0
1 mol 115 unq 0 iso 0 dist 9.18707 8.64107 5.74878 5.31483 9.67606 9.28214 5.91786 5.54133 7.09627 9.41083 numMergedOcc 0
2 mol 115 unq 1 iso 0 dist 9.18707 9.50575 11.7723 5.31483 9.67606 14.3348 5.91786 5.54133 7.10772 9.41083 numMergedOcc 0
3 mol 115 unq 2 iso 0 dist 5.91786 8.64107 7.09627 5.31483 9.41083 9.28214 9.18707 5.54133 5.74878 9.67606 numMergedOcc 0
4 mol 115 unq 3 iso 0 dist 5.91786 9.50575 7.10772 5.31483 9.41083 14.3348 9.18707 5.54133 11.7723 9.67606 numMergedOcc 0
5 mol 139 unq 0 iso 0 dist 7.83417 9.81432 7.05966 7.11333 8.78382 13.5462 10.7751 9.781 9.55607 9.70154 numMergedOcc 0
6 mol 139 unq 1 iso 0 dist 7.83417 5.11962 4.78289 7.11333 8.78382 8.96275 10.7751 9.781 8.16051 9.70154 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 6.4413 7.95671 5.34721 9.68187 9.18753 13.9381 14.0399 10.8037 13.8498 8.6953 numMergedOcc 0
8 mol 150 unq 0 iso 0 dist 6.62609 8.12659 5.38822 9.76535 9.15244 13.968 14.2346 10.8647 14.0016 8.65967 numMergedOcc 0
9 mol 189 unq 0 iso 0 dist 8.01521 8.59972 6.36139 9.29575 6.38294 11.5748 15.755 8.74557 11.7613 9.47321 numMergedOcc 0
10 mol 236 unq 0 iso 0 dist 5.46484 8.95071 6.49831 5.81446 7.74348 5.90804 14.2393 15.386 10.2557 8.63249 numMergedOcc 0
11 mol 236 unq 1 iso 0 dist 8.80671 7.49412 6.81625 14.8289 7.74348 10.7277 22.3246 15.386 16.3226 8.63249 numMergedOcc 0
12 mol 261 unq 0 iso 0 dist 6.93654 9.80409 13.3163 6.94755 6.0437 12.1908 9.66298 4.70691 13.6041 4.85199 numMergedOcc 0
13 mol 261 unq 1 iso 0 dist 6.93654 9.80409 13.3163 6.94755 6.0437 12.1908 15.0007 9.51335 19.8487 9.13604 numMergedOcc 0
14 mol 261 unq 2 iso 0 dist 9.66298 9.80409 13.6041 6.94755 4.85199 12.1908 6.93654 4.70691 13.3163 6.0437 numMergedOcc 0
15 mol 261 unq 3 iso 0 dist 9.66298 9.80409 13.6041 6.94755 4.85199 12.1908 15.0007 6.43452 19.8487 9.13604 numMergedOcc 0
16 mol 261 unq 4 iso 0 dist 9.66298 9.80409 13.6041 17.3605 9.72159 20.1172 15.0007 6.43452 19.8487 6.89731 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 4.98604 7.95849 5.10722 5.51191 6.45597 9.32175 10.1896 5.69849 5.25077 9.18785 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 4.98604 7.95849 5.10722 5.51191 6.45597 9.32175 10.1896 5.69849 5.25077 9.18785 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 4.98604 7.95849 5.10722 5.51191 6.45597 9.32175 10.1896 5.69849 5.25077 9.18785 numMergedOcc 0
