0 mol 16 unq 0 iso 0 dist 6.95078 6.61114 4.91539 6.50294 8.79766 4.86568 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.95078 6.75381 7.30592 5.50193 10.0884 4.7319 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.58408 9.07927 16.653 6.44262 16.0118 7.31767 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.58408 8.50987 16.4918 6.44262 16.0118 6.03987 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 9.50768 5.67627 5.82783 11.4974 10.5944 9.0709 numMergedOcc 0
5 mol 52 unq 0 iso 0 dist 5.77748 9.02308 10.3287 4.98024 5.26018 7.34143 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 7.62062 9.6112 6.03647 9.99897 7.1203 7.34143 numMergedOcc 0
7 mol 52 unq 2 iso 0 dist 7.33436 6.08894 6.03647 6.01116 7.1203 7.34143 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 5.97144 7.09258 6.12361 10.0936 6.7212 9.78528 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 6.18717 7.09258 5.43672 10.0936 13.3713 9.78528 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 5.72842 7.02792 7.68675 11.4302 11.3277 9.35224 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 5.72842 7.02792 7.68675 6.20162 5.70279 6.56369 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 7.58293 5.79411 5.09542 6.03768 9.84673 7.36792 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 8.60424 9.34456 7.41343 4.83846 9.08014 5.86073 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.98702 6.61066 12.4408 6.06993 11.7088 4.99221 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 8.98702 6.3982 5.47689 5.29965 6.55511 5.11551 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 8.91629 6.44766 5.29825 7.69184 12.0117 6.85062 numMergedOcc 0
17 mol 180 unq 0 iso 0 dist 7.11542 7.24785 6.93557 14.0966 16.3276 9.62337 numMergedOcc 0
18 mol 180 unq 1 iso 0 dist 6.43834 7.53287 6.93557 14.0344 16.3276 9.62337 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 6.03801 5.47189 8.61343 5.48717 5.16813 7.54065 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 6.99973 5.07968 6.81956 4.58603 10.6097 9.41367 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 8.27605 8.81925 11.2593 9.75789 16.5465 8.01589 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 8.27605 8.81925 11.2593 12.7799 14.9816 7.7699 numMergedOcc 0
23 mol 222 unq 2 iso 0 dist 8.27605 8.81925 11.2593 12.5625 11.7367 7.21333 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 7.68999 9.68636 5.65373 10.705 8.8557 8.22528 numMergedOcc 0
25 mol 229 unq 1 iso 0 dist 7.68999 9.68636 5.65373 5.6419 5.00457 7.03423 numMergedOcc 0
26 mol 229 unq 2 iso 0 dist 7.68999 7.81415 6.23084 5.6419 5.00457 9.06952 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 8.70264 8.58958 7.01488 16.0172 14.7908 8.34494 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 8.70264 8.58958 7.01488 14.7629 11.3677 6.56247 numMergedOcc 0
29 mol 234 unq 2 iso 0 dist 8.70264 8.58958 7.01488 13.5847 12.8905 9.36357 numMergedOcc 0
30 mol 234 unq 3 iso 0 dist 8.70264 7.17987 7.54044 14.7629 11.3677 9.45496 numMergedOcc 0
31 mol 234 unq 4 iso 0 dist 8.70264 7.17987 7.54044 13.5847 12.8905 6.7625 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 9.8444 9.94587 5.33697 4.3284 6.06422 6.57393 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 9.73405 9.94587 17.5803 4.3284 11.4704 6.57393 numMergedOcc 0
34 mol 253 unq 0 iso 0 dist 9.4691 5.27188 9.23512 5.34337 7.26981 7.32223 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 8.65727 9.80417 15.3755 10.759 18.1419 6.60405 numMergedOcc 0
36 mol 276 unq 0 iso 0 dist 5.16952 6.97104 6.33662 12.2532 13.9936 9.8993 numMergedOcc 0
37 mol 276 unq 1 iso 0 dist 5.16952 6.97104 6.33662 5.58984 8.79189 6.87396 numMergedOcc 0
38 mol 276 unq 2 iso 0 dist 5.04414 8.63281 6.33662 12.388 13.9936 9.8993 numMergedOcc 0
39 mol 276 unq 3 iso 0 dist 5.04414 8.63281 6.33662 6.58819 8.79189 6.87396 numMergedOcc 0
40 mol 279 unq 0 iso 0 dist 9.65416 9.60619 5.31331 9.96126 12.6214 9.70696 numMergedOcc 0
41 mol 292 unq 0 iso 0 dist 8.85233 6.07571 9.38462 8.66797 10.7927 8.2734 numMergedOcc 0
42 mol 292 unq 1 iso 0 dist 7.06322 6.07571 5.81799 8.66797 13.4688 8.2734 numMergedOcc 0
