0 mol 4 unq 0 iso 0 dist 8.66947 8.60134 11.1776 6.80703 9.71908 15.0796 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 8.74209 5.41726 5.71662 9.74445 10.872 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.72872 7.72041 4.02037 10.3388 5.38191 8.8015 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 5.84326 7.07124 6.15355 4.88072 6.80741 6.54758 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 5.8992 8.56119 5.7558 5.18488 6.7763 9.6163 numMergedOcc 0
5 mol 86 unq 0 iso 0 dist 5.63037 9.32256 9.06034 6.2653 7.8018 6.56673 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 8.85873 7.02228 6.13636 11.2532 6.36021 10.2892 numMergedOcc 0
7 mol 94 unq 0 iso 0 dist 6.31237 8.97936 4.50272 11.0606 9.33801 13.4894 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 8.84131 9.16431 7.75097 10.8385 9.10229 14.6437 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 8.47907 6.91978 6.9791 6.85647 8.33083 10.4151 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 5.80854 9.10619 10.3465 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 8.34839 9.83462 4.84714 5.80854 9.10619 8.78112 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.04723 8.81097 10.8373 6.1397 8.0974 9.32853 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.52413 8.9388 15.4336 4.62432 7.66381 12.9492 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 8.67271 7.03264 10.0989 7.70994 6.02561 12.8913 numMergedOcc 0
15 mol 188 unq 1 iso 0 dist 8.67271 6.32826 6.47015 7.70994 6.02561 10.0136 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 5.82039 9.36144 7.89575 10.3181 8.31638 14.0863 numMergedOcc 0
17 mol 206 unq 1 iso 0 dist 5.82039 9.36144 7.89575 8.09615 9.72979 5.83021 numMergedOcc 0
18 mol 206 unq 2 iso 0 dist 6.22964 9.36144 5.14674 5.85716 9.38127 10.7174 numMergedOcc 0
19 mol 206 unq 3 iso 0 dist 6.22964 9.36144 5.14674 8.09615 6.97859 5.83021 numMergedOcc 0
20 mol 229 unq 0 iso 0 dist 6.32302 9.90415 5.70473 5.47886 9.84492 14.7472 numMergedOcc 0
21 mol 229 unq 1 iso 0 dist 6.32302 6.92268 4.17276 5.47886 9.84492 8.70717 numMergedOcc 0
22 mol 229 unq 2 iso 0 dist 8.53615 5.96615 5.70473 14.8014 9.84492 14.7472 numMergedOcc 0
23 mol 248 unq 0 iso 0 dist 7.40475 5.65458 7.48679 11.0674 8.71859 14.0633 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 7.151 9.22453 11.2997 13.1772 9.98528 19.8355 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 8.53324 9.22453 4.40029 7.09461 9.02914 8.18813 numMergedOcc 0
26 mol 277 unq 2 iso 0 dist 7.23956 9.22453 3.97543 7.09461 6.90434 8.18813 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 6.44657 7.12723 10.8644 14.1417 8.71213 19.5633 numMergedOcc 0
