0 mol 34 unq 0 iso 0 dist 8.0991 6.47508 8.80175 6.35031 6.38866 5.50427 numMergedOcc 0
1 mol 34 unq 0 iso 1 dist 8.80175 6.47508 8.0991 5.50427 6.38866 6.35031 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.0991 9.35568 8.61637 6.35031 6.38866 3.54863 numMergedOcc 0
3 mol 34 unq 1 iso 1 dist 8.61637 9.35568 8.0991 3.54863 6.38866 6.35031 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.80175 5.79796 8.61637 5.50427 6.38866 3.54863 numMergedOcc 0
5 mol 34 unq 1 iso 1 dist 8.61637 5.79796 8.80175 3.54863 6.38866 5.50427 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.32996 9.17835 7.47783 13.357 8.0812 6.34854 numMergedOcc 0
7 mol 48 unq 0 iso 1 dist 7.47783 9.17835 7.32996 6.34854 8.0812 13.357 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 5.82264 11.4396 8.56365 6.30002 5.37439 11.2833 numMergedOcc 0
9 mol 48 unq 1 iso 1 dist 8.56365 11.4396 5.82264 11.2833 5.37439 6.30002 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 5.82264 11.4396 8.56365 9.72383 8.3714 12.3471 numMergedOcc 0
11 mol 48 unq 2 iso 1 dist 8.56365 11.4396 5.82264 12.3471 8.3714 9.72383 numMergedOcc 0
12 mol 48 unq 3 iso 0 dist 5.82264 11.4396 8.56365 11.5388 6.36817 6.34854 numMergedOcc 0
13 mol 48 unq 3 iso 1 dist 8.56365 11.4396 5.82264 6.34854 6.36817 11.5388 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 6.2576 6.70789 8.96069 4.37918 4.15789 9.08423 numMergedOcc 0
15 mol 79 unq 0 iso 1 dist 8.96069 6.70789 6.2576 9.08423 4.15789 4.37918 numMergedOcc 0
16 mol 79 unq 1 iso 0 dist 6.2576 7.7277 7.56495 4.37918 4.15789 6.29733 numMergedOcc 0
17 mol 79 unq 1 iso 1 dist 7.56495 7.7277 6.2576 6.29733 4.15789 4.37918 numMergedOcc 0
18 mol 79 unq 1 iso 0 dist 8.96069 7.2005 7.56495 9.08423 4.15789 6.29733 numMergedOcc 0
19 mol 79 unq 1 iso 1 dist 7.56495 7.2005 8.96069 6.29733 4.15789 9.08423 numMergedOcc 0
20 mol 79 unq 2 iso 0 dist 8.84225 7.21092 6.72546 6.07693 4.15789 5.25584 numMergedOcc 0
21 mol 79 unq 2 iso 1 dist 6.72546 7.21092 8.84225 5.25584 4.15789 6.07693 numMergedOcc 0
22 mol 79 unq 3 iso 0 dist 8.84225 7.21092 6.72546 10.8556 4.808 5.79629 numMergedOcc 0
23 mol 79 unq 3 iso 1 dist 6.72546 7.21092 8.84225 5.79629 4.808 10.8556 numMergedOcc 0
24 mol 79 unq 4 iso 0 dist 5.79139 8.10444 7.63923 4.31939 6.20144 5.41884 numMergedOcc 0
25 mol 79 unq 4 iso 1 dist 7.63923 8.10444 5.79139 5.41884 6.20144 4.31939 numMergedOcc 0
26 mol 79 unq 5 iso 0 dist 5.79139 8.10444 7.63923 6.0298 4.808 6.29733 numMergedOcc 0
27 mol 79 unq 5 iso 1 dist 7.63923 8.10444 5.79139 6.29733 4.808 6.0298 numMergedOcc 0
28 mol 93 unq 0 iso 0 dist 5.56839 4.37353 7.83506 5.01255 5.20429 8.98901 numMergedOcc 0
29 mol 93 unq 0 iso 1 dist 7.83506 4.37353 5.56839 8.98901 5.20429 5.01255 numMergedOcc 0
30 mol 93 unq 1 iso 0 dist 5.56839 4.37353 7.83506 9.11323 8.71366 8.52329 numMergedOcc 0
31 mol 93 unq 1 iso 1 dist 7.83506 4.37353 5.56839 8.52329 8.71366 9.11323 numMergedOcc 0
32 mol 98 unq 0 iso 0 dist 9.90672 12.9547 7.55367 9.43399 6.5816 3.61204 numMergedOcc 0
33 mol 98 unq 0 iso 1 dist 7.55367 12.9547 9.90672 3.61204 6.5816 9.43399 numMergedOcc 0
34 mol 113 unq 0 iso 0 dist 7.40338 4.09459 6.23759 6.29259 5.31126 8.17309 numMergedOcc 0
35 mol 113 unq 0 iso 1 dist 6.23759 4.09459 7.40338 8.17309 5.31126 6.29259 numMergedOcc 0
36 mol 113 unq 1 iso 0 dist 7.40338 4.09459 6.23759 7.08122 7.16619 9.30967 numMergedOcc 0
37 mol 113 unq 1 iso 1 dist 6.23759 4.09459 7.40338 9.30967 7.16619 7.08122 numMergedOcc 0
38 mol 117 unq 0 iso 0 dist 9.82836 8.29726 6.5788 13.6461 9.02015 6.05048 numMergedOcc 0
39 mol 117 unq 0 iso 1 dist 6.5788 8.29726 9.82836 6.05048 9.02015 13.6461 numMergedOcc 0
40 mol 117 unq 1 iso 0 dist 9.82836 11.9492 6.2771 13.6461 9.02015 4.42665 numMergedOcc 0
41 mol 117 unq 1 iso 1 dist 6.2771 11.9492 9.82836 4.42665 9.02015 13.6461 numMergedOcc 0
42 mol 117 unq 1 iso 0 dist 6.5788 4.04941 6.2771 6.05048 9.02015 4.42665 numMergedOcc 0
43 mol 117 unq 1 iso 1 dist 6.2771 4.04941 6.5788 4.42665 9.02015 6.05048 numMergedOcc 0
44 mol 169 unq 0 iso 0 dist 7.85698 4.2485 6.35799 6.28646 5.10589 7.83748 numMergedOcc 0
45 mol 169 unq 0 iso 1 dist 6.35799 4.2485 7.85698 7.83748 5.10589 6.28646 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 9.31569 14.6052 8.72743 9.73374 7.25595 14.2269 numMergedOcc 0
47 mol 186 unq 0 iso 1 dist 8.72743 14.6052 9.31569 14.2269 7.25595 9.73374 numMergedOcc 0
48 mol 186 unq 1 iso 0 dist 9.31569 14.6052 8.72743 7.47658 9.94825 9.76301 numMergedOcc 0
49 mol 186 unq 1 iso 1 dist 8.72743 14.6052 9.31569 9.76301 9.94825 7.47658 numMergedOcc 0
50 mol 193 unq 0 iso 0 dist 9.9042 8.42857 6.21262 11.1328 8.30069 11.4882 numMergedOcc 0
51 mol 193 unq 0 iso 1 dist 6.21262 8.42857 9.9042 11.4882 8.30069 11.1328 numMergedOcc 0
52 mol 193 unq 1 iso 0 dist 9.9042 8.42857 6.21262 11.6691 8.83551 9.7301 numMergedOcc 0
53 mol 193 unq 1 iso 1 dist 6.21262 8.42857 9.9042 9.7301 8.83551 11.6691 numMergedOcc 0
54 mol 256 unq 0 iso 0 dist 4.36333 6.10011 6.96483 5.59732 5.58222 3.96807 numMergedOcc 0
55 mol 256 unq 0 iso 1 dist 6.96483 6.10011 4.36333 3.96807 5.58222 5.59732 numMergedOcc 0
