0 mol 43 unq 0 iso 0 dist 8.06275 8.74209 5.41726 5.71662 9.74445 10.872 5.5249 8.80331 6.6263 10.323 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.06275 8.74209 5.41726 5.71662 9.74445 10.872 10.4413 6.20293 6.75943 14.445 numMergedOcc 0
2 mol 94 unq 0 iso 0 dist 6.31237 8.97936 4.50272 11.0606 9.33801 13.4894 6.26149 7.89459 12.2268 5.81332 numMergedOcc 0
3 mol 102 unq 0 iso 0 dist 8.84131 9.16431 7.75097 10.8385 9.10229 14.6437 8.90571 7.36792 13.7125 8.17186 numMergedOcc 0
4 mol 122 unq 0 iso 0 dist 8.47907 6.91978 6.9791 6.85647 8.33083 10.4151 9.75696 8.37808 11.6822 12.4383 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 5.80854 9.10619 10.3465 5.65129 8.56324 6.59889 9.66339 numMergedOcc 0
6 mol 152 unq 1 iso 0 dist 8.34839 9.4275 5.39112 5.80854 9.10619 10.3465 10.5295 6.70283 6.70693 13.9994 numMergedOcc 0
7 mol 152 unq 2 iso 0 dist 8.34839 9.4275 5.39112 5.80854 9.10619 10.3465 10.7929 7.16148 10.4895 14.2552 numMergedOcc 0
8 mol 152 unq 3 iso 0 dist 8.34839 9.83462 4.84714 5.80854 9.10619 8.78112 5.65129 8.56324 8.9192 9.66339 numMergedOcc 0
9 mol 152 unq 4 iso 0 dist 8.34839 9.83462 4.84714 5.80854 9.10619 8.78112 10.5295 6.70283 9.27706 13.9994 numMergedOcc 0
10 mol 152 unq 5 iso 0 dist 8.34839 9.83462 4.84714 5.80854 9.10619 8.78112 10.7929 7.16148 11.6735 14.2552 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 8.04723 8.81097 10.8373 6.1397 8.0974 9.32853 14.4072 6.69288 15.7548 12.2822 numMergedOcc 0
12 mol 178 unq 1 iso 0 dist 8.04723 8.81097 10.8373 6.1397 8.0974 9.32853 13.0519 6.43573 17.2277 12.4338 numMergedOcc 0
13 mol 178 unq 2 iso 0 dist 8.04723 8.81097 10.8373 6.1397 8.0974 9.32853 10.5681 7.17202 13.544 13.9722 numMergedOcc 0
14 mol 178 unq 3 iso 0 dist 8.04723 8.81097 10.8373 6.1397 8.0974 9.32853 9.1499 8.81551 15.2622 13.5599 numMergedOcc 0
15 mol 188 unq 0 iso 0 dist 8.67271 7.03264 10.0989 7.70994 6.02561 12.8913 6.184 9.96154 12.632 5.5682 numMergedOcc 0
16 mol 188 unq 1 iso 0 dist 8.67271 6.32826 6.47015 7.70994 6.02561 10.0136 6.184 9.96154 10.9261 5.5682 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 6.32302 9.90415 5.70473 5.47886 9.84492 14.7472 6.52416 8.22528 7.27993 11.9226 numMergedOcc 0
18 mol 229 unq 1 iso 0 dist 6.32302 6.92268 4.17276 5.47886 9.84492 8.70717 6.52416 8.22528 10.3243 11.9226 numMergedOcc 0
19 mol 229 unq 2 iso 0 dist 8.53615 5.96615 5.70473 14.8014 9.84492 14.7472 6.81165 8.22528 7.27993 11.9226 numMergedOcc 0
20 mol 248 unq 0 iso 0 dist 7.40475 5.65458 7.48679 11.0674 8.71859 14.0633 7.63032 7.69895 10.6429 4.53213 numMergedOcc 0
21 mol 248 unq 1 iso 0 dist 7.40475 5.65458 7.48679 11.0674 8.71859 14.0633 6.42334 7.21521 10.9783 6.33032 numMergedOcc 0
22 mol 248 unq 2 iso 0 dist 7.40475 5.65458 7.48679 11.0674 8.71859 14.0633 6.86606 8.2965 10.6091 11.762 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 7.23956 9.22453 3.97543 7.09461 6.90434 8.18813 15.6875 9.7748 12.1398 13.2927 numMergedOcc 0
