0 mol 7 unq 0 iso 0 dist 5.51421 6.769 6.8464 11.3302 7.15287 7.38748 16.5204 13.8674 10.1841 8.41173 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.81271 6.769 9.15183 11.3302 7.8893 7.38748 16.5204 15.8454 10.1841 8.41173 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 7.8865 4.60834 9.75368 4.62913 6.98179 6.6051 7.18195 11.2497 4.86727 5.9021 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 7.8865 4.60834 9.75368 4.62913 6.98179 6.6051 6.70723 12.4753 10.763 8.98466 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.99491 4.69203 8.75668 12.7747 15.4665 8.52643 11.1294 12.2258 7.05519 7.8986 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.99491 4.69203 8.75668 9.67624 9.95527 5.41357 11.1294 12.2258 7.05519 7.24183 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 9.28278 4.74644 8.00624 7.13958 4.80675 7.6453 4.99299 6.29026 5.06265 7.07421 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 8.78082 4.74644 8.42289 7.13958 7.01358 7.6453 4.99299 11.4199 5.06265 7.07421 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 7.41378 4.82806 4.71906 11.8366 4.681 8.92801 10.3022 6.43406 7.11585 6.47689 numMergedOcc 0
9 mol 236 unq 0 iso 0 dist 5.66569 4.60599 5.90804 9.73914 6.49831 7.74348 15.167 13.61 13.5224 7.6402 numMergedOcc 0
10 mol 236 unq 1 iso 0 dist 6.11137 4.24722 5.90804 5.6568 6.49831 7.74348 10.0728 13.61 13.5224 7.6402 numMergedOcc 0
11 mol 244 unq 0 iso 0 dist 7.65388 8.49995 9.21656 14.3026 10.5547 7.79787 20.1691 16.5923 13.4155 6.51428 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 9.59174 9.2365 7.57187 13.2187 5.57797 6.33567 5.24482 6.09782 5.00751 8.57305 numMergedOcc 0
13 mol 258 unq 1 iso 0 dist 5.73834 5.66907 9.04358 9.52903 9.78068 8.10903 13.2258 15.2652 10.8957 6.08181 numMergedOcc 0
14 mol 258 unq 2 iso 0 dist 5.73834 5.66907 9.04358 9.52903 9.78068 8.10903 3.95075 8.58088 5.27718 7.70189 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 8.49076 5.02003 8.88221 6.28023 7.23876 9.34051 5.66978 9.02749 10.3702 6.12202 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 9.29635 12.5633 4.81916 16.5458 7.44724 6.66936 15.5244 6.90434 5.95045 6.23539 numMergedOcc 0
17 mol 293 unq 0 iso 0 dist 6.27435 6.74585 5.44043 6.04186 5.66805 4.72125 11.3134 13.1135 8.14268 8.8788 numMergedOcc 0
18 mol 293 unq 1 iso 0 dist 6.27435 6.74585 5.44043 11.8289 9.35524 6.42608 11.3134 13.1135 8.14268 8.42712 numMergedOcc 0
