0 mol 1 unq 0 iso 0 dist 8.27735 9.80295 6.09918 13.7925 5.92202 8.26708 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.88982 14.0137 5.72491 20.7193 12.2041 7.88043 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.8576 13.0722 7.88043 14.6878 12.2041 5.72491 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.82056 7.19365 7.48847 10.0681 10.8007 6.92532 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.82056 7.19365 7.48847 12.5138 10.6598 6.36455 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 6.00307 6.13982 6.90155 11.8356 10.6808 5.81959 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 9.70612 5.59494 7.05737 6.46781 5.64331 7.54179 numMergedOcc 0
7 mol 38 unq 1 iso 0 dist 6.46781 5.59494 7.54179 9.70612 5.64331 7.05737 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 9.10877 3.74136 9.4523 10.4641 9.91939 9.81831 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 9.10877 3.74136 9.4523 11.1217 7.66728 9.12858 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 9.23551 5.78019 6.28351 10.823 7.15222 5.49226 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 7.4653 5.88056 5.49226 11.6819 7.15222 6.28351 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 7.15963 4.41466 6.51749 11.5431 10.1912 7.20392 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 8.16369 12.1694 7.24795 12.2632 9.41955 9.56197 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 8.16369 12.1694 7.24795 17.0127 13.684 8.64409 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 8.16369 12.1694 7.24795 15.4561 9.45987 7.60202 numMergedOcc 0
16 mol 198 unq 0 iso 0 dist 9.98332 17.6122 8.10985 20.6684 11.6493 9.18635 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 5.5581 6.7132 8.0144 13.2962 11.117 7.80841 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 9.66975 13.1353 8.0144 19.5443 11.117 7.80841 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.04106 10.0849 5.60393 13.1824 7.38516 8.44861 numMergedOcc 0
20 mol 212 unq 0 iso 0 dist 8.13678 6.12126 6.29767 11.4002 4.12932 8.57827 numMergedOcc 0
21 mol 218 unq 0 iso 0 dist 9.85348 10.6818 5.76954 14.1454 4.72474 6.29367 numMergedOcc 0
22 mol 218 unq 1 iso 0 dist 9.85348 10.6818 5.76954 12.2392 5.61978 9.20961 numMergedOcc 0
23 mol 218 unq 2 iso 0 dist 9.85348 12.85 6.29511 14.1454 4.72474 8.86175 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 6.15754 14.1265 8.24186 13.1294 8.59858 7.56091 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 6.15754 14.1265 8.24186 8.9413 5.88703 7.5366 numMergedOcc 0
26 mol 234 unq 2 iso 0 dist 6.6281 14.0259 8.24186 14.4042 8.59858 7.56091 numMergedOcc 0
27 mol 234 unq 3 iso 0 dist 6.6281 14.0259 8.24186 11.5469 5.88703 7.5366 numMergedOcc 0
28 mol 234 unq 4 iso 0 dist 8.9413 14.1265 7.5366 13.1294 9.82284 7.56091 numMergedOcc 0
29 mol 234 unq 5 iso 0 dist 8.9413 14.1265 7.5366 6.15754 5.88703 8.24186 numMergedOcc 0
30 mol 234 unq 6 iso 0 dist 4.91961 8.3084 7.5366 13.0447 9.82284 7.56091 numMergedOcc 0
31 mol 234 unq 7 iso 0 dist 4.91961 8.3084 7.5366 10.2233 5.88703 8.24186 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 5.99187 8.22473 5.64181 9.93378 6.85126 7.61393 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 9.93378 8.22473 7.61393 5.99187 6.85126 5.64181 numMergedOcc 0
34 mol 240 unq 0 iso 0 dist 7.0935 3.38705 9.47583 7.12912 4.28414 8.44909 numMergedOcc 0
35 mol 240 unq 1 iso 0 dist 7.12912 3.38705 8.44909 7.0935 4.28414 9.47583 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 5.31858 11.0804 7.99477 11.1218 7.26417 6.70815 numMergedOcc 0
37 mol 258 unq 1 iso 0 dist 5.31858 6.65689 7.86627 5.71851 5.30627 7.93574 numMergedOcc 0
38 mol 258 unq 2 iso 0 dist 5.71851 6.65689 7.93574 5.31858 5.30627 7.86627 numMergedOcc 0
39 mol 277 unq 0 iso 0 dist 6.70123 5.16567 6.57903 12.2817 6.59123 9.65707 numMergedOcc 0
