0 mol 28 unq 0 iso 0 dist 6.14086 5.52655 6.76158 6.82151 8.53424 4.3475 numMergedOcc 0
1 mol 28 unq 0 iso 1 dist 6.76158 5.52655 6.14086 4.3475 8.53424 6.82151 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 6.31487 5.52655 7.423 6.82151 7.08766 4.3475 numMergedOcc 0
3 mol 28 unq 1 iso 1 dist 7.423 5.52655 6.31487 4.3475 7.08766 6.82151 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 7.07851 5.52655 5.89257 6.82151 4.82199 4.3475 numMergedOcc 0
5 mol 28 unq 2 iso 1 dist 5.89257 5.52655 7.07851 4.3475 4.82199 6.82151 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 5.23167 4.92946 7.47607 3.89181 4.46067 5.72955 numMergedOcc 0
7 mol 62 unq 0 iso 1 dist 7.47607 4.92946 5.23167 5.72955 4.46067 3.89181 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 7.49032 3.86472 7.04627 5.04742 8.78115 5.02162 numMergedOcc 0
9 mol 123 unq 0 iso 1 dist 7.04627 3.86472 7.49032 5.02162 8.78115 5.04742 numMergedOcc 0
10 mol 123 unq 1 iso 0 dist 7.49032 3.86472 7.04627 11.4019 8.03692 8.90549 numMergedOcc 0
11 mol 123 unq 1 iso 1 dist 7.04627 3.86472 7.49032 8.90549 8.03692 11.4019 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 6.32254 4.48841 8.89556 4.03856 8.65645 6.94233 numMergedOcc 0
13 mol 176 unq 0 iso 1 dist 8.89556 4.48841 6.32254 6.94233 8.65645 4.03856 numMergedOcc 0
14 mol 176 unq 1 iso 0 dist 6.32254 4.48841 8.89556 5.25264 6.85902 3.97245 numMergedOcc 0
15 mol 176 unq 1 iso 1 dist 8.89556 4.48841 6.32254 3.97245 6.85902 5.25264 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 9.3032 15.5554 8.10451 12.2934 5.10542 11.2635 numMergedOcc 0
17 mol 194 unq 0 iso 1 dist 8.10451 15.5554 9.3032 11.2635 5.10542 12.2934 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 6.6747 11.9885 6.28412 11.2635 4.68722 5.18799 numMergedOcc 0
19 mol 194 unq 1 iso 1 dist 6.28412 11.9885 6.6747 5.18799 4.68722 11.2635 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 6.6747 11.9885 6.28412 10.5989 5.18325 4.45047 numMergedOcc 0
21 mol 194 unq 2 iso 1 dist 6.28412 11.9885 6.6747 4.45047 5.18325 10.5989 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 7.22473 8.62358 7.13397 7.91474 8.62655 4.38276 numMergedOcc 0
23 mol 260 unq 0 iso 1 dist 7.13397 8.62358 7.22473 4.38276 8.62655 7.91474 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 9.20906 14.8724 9.03099 10.0526 7.80711 7.98379 numMergedOcc 0
25 mol 266 unq 0 iso 1 dist 9.03099 14.8724 9.20906 7.98379 7.80711 10.0526 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 9.20906 14.8724 9.03099 16.8584 9.9965 4.58167 numMergedOcc 0
27 mol 266 unq 1 iso 1 dist 9.03099 14.8724 9.20906 4.58167 9.9965 16.8584 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 7.34927 10.7983 7.54315 9.69757 7.98956 7.55695 numMergedOcc 0
29 mol 277 unq 0 iso 1 dist 7.54315 10.7983 7.34927 7.55695 7.98956 9.69757 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 7.34927 10.7983 7.54315 10.2113 5.86185 6.26644 numMergedOcc 0
31 mol 277 unq 1 iso 1 dist 7.54315 10.7983 7.34927 6.26644 5.86185 10.2113 numMergedOcc 0
32 mol 277 unq 2 iso 0 dist 7.34927 10.7983 7.54315 8.92993 6.79748 10.4453 numMergedOcc 0
33 mol 277 unq 2 iso 1 dist 7.54315 10.7983 7.34927 10.4453 6.79748 8.92993 numMergedOcc 0
34 mol 281 unq 0 iso 0 dist 8.78416 9.67318 7.82358 16.2332 7.90368 12.9503 numMergedOcc 0
35 mol 281 unq 0 iso 1 dist 7.82358 9.67318 8.78416 12.9503 7.90368 16.2332 numMergedOcc 0
36 mol 281 unq 1 iso 0 dist 8.78416 9.67318 7.82358 10.564 6.69267 9.45924 numMergedOcc 0
37 mol 281 unq 1 iso 1 dist 7.82358 9.67318 8.78416 9.45924 6.69267 10.564 numMergedOcc 0
38 mol 281 unq 2 iso 0 dist 9.22428 11.368 7.95687 9.75261 5.33372 3.73592 numMergedOcc 0
39 mol 281 unq 2 iso 1 dist 7.95687 11.368 9.22428 3.73592 5.33372 9.75261 numMergedOcc 0
40 mol 281 unq 3 iso 0 dist 9.22428 11.368 7.95687 10.564 6.56886 10.8606 numMergedOcc 0
41 mol 281 unq 3 iso 1 dist 7.95687 11.368 9.22428 10.8606 6.56886 10.564 numMergedOcc 0
42 mol 292 unq 0 iso 0 dist 4.97488 5.39054 8.80146 4.34603 8.07775 7.1411 numMergedOcc 0
43 mol 292 unq 0 iso 1 dist 8.80146 5.39054 4.97488 7.1411 8.07775 4.34603 numMergedOcc 0
