0 mol 5 unq 0 iso 0 dist 8.72524 4.47188 4.98321 6.98121 8.87945 5.31713 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.25372 4.55134 4.98321 6.13695 7.74636 6.98653 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.36963 11.6833 7.14537 9.27837 6.77807 4.68389 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 7.36963 8.06731 9.39486 9.27837 6.77807 7.73435 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.49404 8.74944 8.69288 6.23313 8.85286 5.69207 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.49404 4.80814 7.77964 6.23313 8.85286 5.49307 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 8.87762 12.2504 7.01952 4.96658 9.41098 14.0196 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 9.06787 9.58409 5.40489 4.50355 9.32314 9.49077 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 5.14123 6.13703 8.66724 6.84869 6.23509 7.21298 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 5.65006 10.0759 9.08825 5.5308 5.45099 5.16522 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 5.65006 10.0759 9.08825 10.5881 8.44765 9.60553 numMergedOcc 0
11 mol 76 unq 2 iso 0 dist 5.65006 10.0759 9.08825 9.74852 9.06643 12.9855 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 8.17687 4.9889 7.20211 3.37256 9.54696 5.54238 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 8.17687 4.9889 7.20211 6.27386 4.62636 3.12382 numMergedOcc 0
14 mol 107 unq 0 iso 0 dist 8.2411 4.11617 6.11492 10.9097 7.91251 10.4294 numMergedOcc 0
15 mol 107 unq 1 iso 0 dist 8.2411 4.11617 6.11492 4.34186 9.09262 3.40943 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 9.19254 9.64824 9.43904 5.67773 8.91326 5.34959 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 5.69346 5.5458 8.32353 4.18108 6.53038 8.60565 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 8.55388 4.858 8.32353 8.29185 6.53038 8.60565 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.09756 5.565 8.5672 6.14958 9.17458 5.53349 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 5.09756 5.565 8.5672 5.87342 7.36794 4.65666 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 7.44523 8.84505 5.67168 6.14958 6.94594 4.97041 numMergedOcc 0
22 mol 186 unq 3 iso 0 dist 7.44523 8.84505 5.67168 5.87342 5.81881 6.50779 numMergedOcc 0
23 mol 198 unq 0 iso 0 dist 8.18482 11.3881 9.91727 8.29433 9.75417 13.1522 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 6.3407 9.68207 5.03818 12.1876 7.68686 6.49396 numMergedOcc 0
25 mol 205 unq 1 iso 0 dist 6.3407 4.60102 6.40171 12.1876 7.68686 8.93955 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 7.79613 10.415 8.14294 13.8153 8.88902 10.1968 numMergedOcc 0
27 mol 233 unq 0 iso 0 dist 7.79426 4.12865 9.01338 10.3577 8.4338 8.6503 numMergedOcc 0
28 mol 243 unq 0 iso 0 dist 7.42359 5.69077 8.30024 6.56644 9.53137 8.97648 numMergedOcc 0
29 mol 243 unq 1 iso 0 dist 7.42359 9.70906 8.20943 6.56644 9.53137 14.0671 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 8.20902 14.6762 7.16209 9.69757 5.13533 5.9732 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 8.20902 11.68 4.62936 9.69757 5.13533 3.79766 numMergedOcc 0
32 mol 277 unq 2 iso 0 dist 7.98589 6.40883 7.16209 5.00704 5.13533 5.9732 numMergedOcc 0
33 mol 277 unq 3 iso 0 dist 7.98589 6.79352 4.62936 5.00704 5.13533 3.79766 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 6.66483 5.58851 5.02349 8.07304 7.90632 3.36713 numMergedOcc 0
35 mol 279 unq 1 iso 0 dist 6.66483 8.15975 9.19322 8.07304 7.90632 10.4717 numMergedOcc 0
36 mol 279 unq 2 iso 0 dist 5.52111 4.84196 5.02349 7.39007 7.90632 3.36713 numMergedOcc 0
37 mol 279 unq 3 iso 0 dist 5.52111 4.98931 9.19322 7.39007 7.90632 10.4717 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 8.51266 6.03672 7.89938 5.92057 9.56933 3.44186 numMergedOcc 0
