0 mol 13 unq 0 iso 0 dist 8.63643 5.61058 9.45635 10.8643 9.21911 6.95614 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 6.52528 10.3024 9.45635 5.30861 9.21911 6.95614 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 8.83891 6.3431 8.85174 7.49229 6.23015 10.1154 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.79061 4.78435 9.73086 5.00474 6.14542 5.11416 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.79061 6.33833 7.4369 5.00474 6.14542 6.56633 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.73179 4.80624 6.72869 7.75939 7.46095 4.85247 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 9.73179 14.1154 9.85905 7.75939 7.46095 6.45686 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 6.6536 10.8268 7.7988 6.24821 8.06134 6.41459 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 6.6536 10.8268 7.7988 6.74235 5.36587 7.64054 numMergedOcc 0
9 mol 112 unq 2 iso 0 dist 6.6536 11.179 9.40824 6.24821 8.06134 7.18484 numMergedOcc 0
10 mol 112 unq 3 iso 0 dist 6.6536 11.179 9.40824 6.74235 5.36587 10.9474 numMergedOcc 0
11 mol 112 unq 4 iso 0 dist 6.6536 4.87668 4.22363 6.24821 8.06134 4.35926 numMergedOcc 0
12 mol 112 unq 5 iso 0 dist 6.6536 4.87668 4.22363 6.74235 5.36587 5.76098 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.88752 10.9364 8.77023 12.8098 8.83732 4.54648 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 8.99128 14.7612 8.97626 11.7393 9.16358 5.50031 numMergedOcc 0
15 mol 155 unq 1 iso 0 dist 8.99128 14.7612 8.97626 10.7516 9.24038 6.89781 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 9.76579 5.74656 6.84752 10.1869 8.86449 4.64019 numMergedOcc 0
17 mol 167 unq 1 iso 0 dist 9.76579 11.2312 7.86563 10.1869 8.86449 5.90938 numMergedOcc 0
18 mol 167 unq 2 iso 0 dist 9.76579 6.67469 7.02548 10.1869 8.86449 7.08726 numMergedOcc 0
19 mol 168 unq 0 iso 0 dist 5.51167 10.9775 6.02086 6.6467 9.42807 12.9045 numMergedOcc 0
20 mol 170 unq 0 iso 0 dist 9.66676 11.4871 9.08274 4.11212 6.47164 9.275 numMergedOcc 0
21 mol 170 unq 1 iso 0 dist 9.66676 11.4871 9.08274 9.2613 9.65126 12.5696 numMergedOcc 0
22 mol 170 unq 2 iso 0 dist 9.66676 6.45787 9.51256 4.11212 6.47164 4.34698 numMergedOcc 0
23 mol 170 unq 3 iso 0 dist 9.66676 6.45787 9.51256 9.2613 9.65126 5.75144 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 5.97971 10.8374 9.01624 7.18433 5.99437 7.20191 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 5.97971 4.62576 5.05973 7.18433 5.99437 5.48529 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 8.72747 11.9541 9.01624 6.37887 5.99437 7.20191 numMergedOcc 0
27 mol 181 unq 3 iso 0 dist 8.72747 4.80932 5.05973 6.37887 5.99437 5.48529 numMergedOcc 0
28 mol 181 unq 4 iso 0 dist 8.23845 8.672 9.01624 4.94211 5.99437 7.20191 numMergedOcc 0
29 mol 181 unq 5 iso 0 dist 8.23845 6.42223 5.05973 4.94211 5.99437 5.48529 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 6.84679 5.5366 7.2793 9.12063 6.88127 10.5063 numMergedOcc 0
31 mol 198 unq 0 iso 0 dist 9.40433 9.33462 9.31526 11.7342 8.63279 9.73871 numMergedOcc 0
32 mol 210 unq 0 iso 0 dist 7.80421 5.92474 8.63693 10.4519 9.68477 7.67559 numMergedOcc 0
33 mol 220 unq 0 iso 0 dist 8.63839 9.27733 9.58404 4.49046 8.24649 4.82315 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 7.99441 9.84386 5.56538 4.07008 8.43195 7.75656 numMergedOcc 0
35 mol 222 unq 1 iso 0 dist 6.71817 9.84386 7.48954 4.07008 8.23406 7.75656 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 8.565 6.57808 8.08349 8.65179 5.05368 10.7174 numMergedOcc 0
37 mol 224 unq 1 iso 0 dist 8.565 6.64754 9.78218 8.65179 5.05368 6.51732 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 9.993 13.3838 6.73665 9.08479 8.95511 11.169 numMergedOcc 0
39 mol 239 unq 1 iso 0 dist 9.993 13.3838 6.73665 15.0274 5.85002 5.88931 numMergedOcc 0
40 mol 239 unq 2 iso 0 dist 9.993 16.5315 9.34438 9.08479 8.95511 18.2672 numMergedOcc 0
41 mol 239 unq 3 iso 0 dist 9.993 16.5315 9.34438 15.0274 5.85002 6.22471 numMergedOcc 0
42 mol 239 unq 4 iso 0 dist 9.993 10.3956 9.35949 9.08479 8.95511 13.9678 numMergedOcc 0
43 mol 239 unq 5 iso 0 dist 9.993 10.3956 9.35949 15.0274 5.85002 9.88845 numMergedOcc 0
44 mol 279 unq 0 iso 0 dist 8.34313 4.51031 6.35028 15.4124 7.17958 12.6502 numMergedOcc 0
45 mol 292 unq 0 iso 0 dist 9.63325 16.264 7.20674 12.0583 8.62162 8.83082 numMergedOcc 0
