0 mol 19 unq 0 iso 0 dist 8.18518 5.36258 6.55187 9.47909 10.2774 12.9293 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 8.125 6.28472 5.007 8.91502 12.2547 8.40758 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 8.125 8.74881 11.3449 8.91502 12.2547 4.1059 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.7754 8.18002 13.6262 9.00217 10.135 10.4344 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 9.7754 7.07032 6.65054 9.00217 10.135 10.593 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 6.30103 8.15236 6.93027 6.54326 8.58926 4.04784 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 6.30103 8.24447 11.145 6.54326 8.58926 9.05582 numMergedOcc 0
7 mol 94 unq 0 iso 0 dist 9.10488 5.20598 10.0455 9.82589 7.10145 9.33581 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.57498 6.0026 7.2495 7.52622 10.433 4.71081 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 7.21902 6.26422 6.01663 9.0075 5.49165 10.771 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 8.32829 6.49786 9.28746 5.88987 12.5192 6.30424 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 8.32829 8.43154 13.0583 5.88987 12.5192 4.07457 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 7.0119 9.5964 4.8585 5.99766 6.13816 5.27054 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 7.77535 6.96139 7.62375 9.08316 3.7112 7.71824 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 7.30244 9.13234 12.4477 8.01243 14.1217 10.2742 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 7.30244 9.13234 12.4477 9.55264 3.91796 12.533 numMergedOcc 0
16 mol 220 unq 2 iso 0 dist 7.29796 9.13234 12.3083 8.01243 9.83649 10.2742 numMergedOcc 0
17 mol 220 unq 3 iso 0 dist 7.29796 9.13234 12.3083 9.55264 10.4288 12.533 numMergedOcc 0
18 mol 220 unq 4 iso 0 dist 9.85951 9.49722 5.21956 9.1318 7.05672 11.2951 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 9.27989 9.51945 18.276 7.55125 11.1638 10.0176 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 8.82094 6.52635 10.9667 7.67597 9.75518 3.9883 numMergedOcc 0
21 mol 281 unq 0 iso 0 dist 9.65665 7.82968 7.42063 5.46236 9.16177 4.91991 numMergedOcc 0
22 mol 284 unq 0 iso 0 dist 6.86342 6.34235 7.29657 8.52276 3.94511 9.74804 numMergedOcc 0
23 mol 284 unq 1 iso 0 dist 6.86342 6.34235 7.29657 7.55623 6.89341 10.9454 numMergedOcc 0
