0 mol 98 unq 0 iso 0 dist 8.48678 13.9427 8.43352 15.44 7.06961 7.26086 13.9683 6.7117 7.32662 5.08437 numMergedOcc 0
1 mol 98 unq 1 iso 0 dist 8.48678 13.9427 8.43352 15.44 7.06961 7.26086 17.3037 9.42961 13.4985 6.48948 numMergedOcc 0
2 mol 98 unq 2 iso 0 dist 8.48678 13.9427 8.43352 15.44 7.06961 7.26086 11.0642 4.47349 6.934 6.10456 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 6.36749 10.3606 9.5669 9.56324 9.75737 7.12017 15.1093 15.8683 9.52882 6.45675 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 6.36749 10.3606 9.5669 9.56324 9.75737 7.12017 16.8752 16.5404 12.6602 7.47343 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 6.36749 10.3606 9.5669 9.56324 9.75737 7.12017 13.0353 16.3323 14.8674 8.86688 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.57532 8.70712 7.91683 13.63 9.89358 7.77116 12.1367 9.23858 3.78311 8.73993 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 8.61574 6.89245 7.91683 8.88255 9.89358 7.77116 10.5726 9.23858 3.78311 8.73993 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 8.32841 14.911 7.46845 10.6253 5.81563 5.38091 15.5009 13.0658 10.7023 8.34702 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 8.32841 14.911 7.46845 10.6253 5.81563 5.38091 15.976 11.5017 9.00862 9.06726 numMergedOcc 0
10 mol 156 unq 2 iso 0 dist 8.32841 14.911 7.46845 10.6253 5.81563 5.38091 11.4806 10.0063 11.1271 8.33171 numMergedOcc 0
11 mol 156 unq 3 iso 0 dist 6.56065 11.1159 7.46845 10.9888 5.81563 5.38091 15.5448 13.0658 10.7023 8.34702 numMergedOcc 0
12 mol 156 unq 4 iso 0 dist 6.56065 11.1159 7.46845 10.9888 5.81563 5.38091 11.572 11.5017 9.00862 9.06726 numMergedOcc 0
13 mol 156 unq 5 iso 0 dist 6.56065 11.1159 7.46845 10.9888 5.81563 5.38091 10.4341 10.0063 11.1271 8.33171 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 6.62013 6.80235 5.91727 11.513 5.86489 6.85441 14.8962 11.5776 8.17229 7.10633 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 6.62013 6.80235 5.91727 11.513 5.86489 6.85441 7.24163 7.32294 5.74707 8.51516 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.58118 6.71715 5.37796 6.21273 7.11498 5.45036 5.1021 6.59716 6.17628 9.23153 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 7.58118 6.71715 5.37796 6.21273 7.11498 5.45036 6.29601 13.1498 10.4136 8.24498 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 8.91452 5.98458 7.95359 10.8929 6.67321 5.87815 16.0319 13.0798 10.6244 7.55216 numMergedOcc 0
19 mol 248 unq 0 iso 0 dist 8.80866 9.94694 7.97135 11.505 4.30004 6.77954 5.44123 7.16525 6.71566 9.56569 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 9.1191 9.71846 7.39391 13.4304 6.35641 6.86945 14.864 11.0831 5.25252 7.19638 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 6.12402 5.86656 7.21655 6.8902 5.24812 6.14323 12.3593 13.6942 13.0621 9.17653 numMergedOcc 0
