0 mol 24 unq 0 iso 0 dist 9.99905 10.0637 8.0319 16.4411 11.4109 6.86014 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 5.51659 11.2139 8.03754 18.6502 14.0204 8.80331 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 5.51659 11.2139 8.03754 16.7083 13.1056 6.20293 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.84449 5.2995 7.689 13.2687 14.9329 9.60661 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.84449 5.2995 7.689 11.8029 5.71475 7.17106 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 9.84449 5.2995 7.689 12.5343 10.3954 9.35224 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 6.89622 10.1755 8.41774 17.6793 13.1435 8.56324 numMergedOcc 0
7 mol 152 unq 1 iso 0 dist 6.89622 10.1755 8.41774 16.3269 13.793 6.70283 numMergedOcc 0
8 mol 152 unq 2 iso 0 dist 6.89622 10.1755 8.41774 13.8996 11.2124 7.16148 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 8.03534 6.4623 7.51951 10.156 5.04299 7.26832 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 7.81237 4.90657 5.39218 9.8711 13.3213 9.23153 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 7.81237 4.90657 5.39218 12.6756 11.4842 8.24498 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 9.34888 9.08827 8.27093 13.9401 10.9396 7.22101 numMergedOcc 0
13 mol 227 unq 1 iso 0 dist 9.34888 9.08827 8.27093 15.5036 10.9533 7.09863 numMergedOcc 0
14 mol 227 unq 2 iso 0 dist 9.34888 5.70988 9.02226 13.9401 10.9396 8.65997 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 7.87831 6.00143 5.46736 12.2364 4.82695 8.34494 numMergedOcc 0
16 mol 234 unq 1 iso 0 dist 7.87831 6.00143 5.46736 10.6898 4.93623 6.56247 numMergedOcc 0
17 mol 234 unq 2 iso 0 dist 7.87831 6.00143 5.46736 14.5683 11.7817 9.36357 numMergedOcc 0
18 mol 234 unq 3 iso 0 dist 7.01653 4.74041 5.46736 10.6962 4.82695 8.34494 numMergedOcc 0
19 mol 234 unq 4 iso 0 dist 7.01653 4.74041 5.46736 5.89084 4.93623 6.56247 numMergedOcc 0
20 mol 234 unq 5 iso 0 dist 7.01653 4.74041 5.46736 8.47009 11.7817 9.36357 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 7.72564 6.12544 8.98788 12.4697 9.01779 9.56569 numMergedOcc 0
22 mol 261 unq 0 iso 0 dist 8.69675 10.5691 7.30472 9.62828 6.43209 8.02547 numMergedOcc 0
23 mol 261 unq 1 iso 0 dist 8.69675 10.5691 7.30472 17.6306 11.6843 8.43057 numMergedOcc 0
24 mol 261 unq 2 iso 0 dist 8.69675 10.5691 7.30472 13.3636 7.78464 6.05727 numMergedOcc 0
25 mol 276 unq 0 iso 0 dist 8.26741 5.72513 8.15803 9.05218 11.2406 9.8993 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.08788 6.03718 9.24472 14.3672 13.0364 9.70696 numMergedOcc 0
