0 mol 12 unq 0 iso 0 dist 7.4036 5.70264 9.52857 7.00079 5.76024 10.1802 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.4036 5.70264 9.52857 6.50215 7.92714 11.8349 numMergedOcc 0
2 mol 12 unq 2 iso 0 dist 7.4036 5.70264 9.52857 12.5814 8.47217 13.1322 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 8.84341 10.0889 5.74567 12.3102 7.92012 4.47542 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 7.02884 11.8428 5.74567 12.9838 7.92012 4.47542 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 8.5377 4.62604 8.23202 4.03395 8.0543 5.74722 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 7.74952 5.63878 7.12701 3.98211 8.66165 5.06999 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 8.99674 7.87363 7.12701 12.4705 8.66165 5.06999 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 7.95423 6.02292 8.74577 4.02754 6.33431 6.58625 numMergedOcc 0
9 mol 125 unq 1 iso 0 dist 7.95423 8.42753 9.7728 4.02754 6.33431 6.67445 numMergedOcc 0
10 mol 125 unq 2 iso 0 dist 7.95423 7.65137 6.75122 4.02754 6.33431 8.12341 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 9.45931 11.3007 8.81111 7.98447 6.75376 11.3783 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 6.49728 9.46695 8.81111 11.3904 6.75376 11.3783 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 6.35397 11.3007 5.66405 7.98447 9.10042 11.3783 numMergedOcc 0
14 mol 141 unq 3 iso 0 dist 6.35397 11.3007 5.66405 8.12085 9.75059 11.1002 numMergedOcc 0
15 mol 141 unq 4 iso 0 dist 6.35397 11.3007 5.66405 10.1812 6.83404 5.63251 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 7.27051 4.64973 8.14859 13.0844 8.26288 14.4054 numMergedOcc 0
17 mol 192 unq 1 iso 0 dist 7.27051 4.64973 8.14859 5.76622 6.60053 9.72372 numMergedOcc 0
18 mol 192 unq 2 iso 0 dist 7.35424 4.64973 5.62421 5.76622 9.36796 9.72372 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 5.21339 5.45869 9.0515 10.6902 9.62455 13.1553 numMergedOcc 0
20 mol 196 unq 1 iso 0 dist 6.34867 7.98237 9.0515 13.7873 9.62455 13.1553 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 9.68308 14.1389 9.58168 11.1429 5.9627 9.38829 numMergedOcc 0
22 mol 250 unq 0 iso 0 dist 9.5174 10.0941 5.92578 12.9088 9.70149 8.13148 numMergedOcc 0
23 mol 256 unq 0 iso 0 dist 5.17332 13.803 9.74449 5.05199 4.98734 10.3756 numMergedOcc 0
24 mol 256 unq 1 iso 0 dist 5.17332 13.803 9.74449 5.9572 6.37963 13.5199 numMergedOcc 0
25 mol 256 unq 2 iso 0 dist 5.17332 13.803 9.74449 10.1811 8.16803 6.37659 numMergedOcc 0
