0 mol 5 unq 0 iso 0 dist 6.81899 6.01866 6.86923 9.22198 5.70932 9.95226 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.81899 6.01866 6.86923 8.91509 7.67464 4.60775 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 6.81899 6.01866 6.86923 7.89217 9.39982 8.64744 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 9.22198 6.01866 9.95226 6.81899 5.70932 6.86923 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 9.22198 6.01866 9.95226 8.91509 8.28622 4.60775 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 9.22198 6.01866 9.95226 7.89217 6.78181 8.64744 numMergedOcc 0
6 mol 5 unq 6 iso 0 dist 8.91509 6.01866 4.60775 6.81899 7.67464 6.86923 numMergedOcc 0
7 mol 5 unq 7 iso 0 dist 8.91509 6.01866 4.60775 9.22198 8.28622 9.95226 numMergedOcc 0
8 mol 5 unq 8 iso 0 dist 8.91509 6.01866 4.60775 7.89217 7.02829 8.64744 numMergedOcc 0
9 mol 5 unq 9 iso 0 dist 7.89217 6.01866 8.64744 6.81899 9.39982 6.86923 numMergedOcc 0
10 mol 5 unq 10 iso 0 dist 7.89217 6.01866 8.64744 9.22198 6.78181 9.95226 numMergedOcc 0
11 mol 5 unq 11 iso 0 dist 7.89217 6.01866 8.64744 8.91509 7.02829 4.60775 numMergedOcc 0
12 mol 5 unq 12 iso 0 dist 6.99733 11.5915 8.64744 12.3464 9.39982 6.86923 numMergedOcc 0
13 mol 5 unq 13 iso 0 dist 6.99733 11.5915 8.64744 11.2638 6.78181 9.95226 numMergedOcc 0
14 mol 5 unq 14 iso 0 dist 6.99733 11.5915 8.64744 12.5515 7.02829 4.60775 numMergedOcc 0
15 mol 5 unq 15 iso 0 dist 8.81964 3.9731 8.49537 13.136 14.5394 9.22067 numMergedOcc 0
16 mol 28 unq 0 iso 0 dist 5.87633 5.83388 9.28621 12.8125 12.5255 8.94643 numMergedOcc 0
17 mol 28 unq 1 iso 0 dist 5.87633 5.83388 9.28621 7.09381 9.40652 8.36195 numMergedOcc 0
18 mol 28 unq 2 iso 0 dist 7.09381 5.83388 8.36195 5.87633 9.40652 9.28621 numMergedOcc 0
19 mol 28 unq 3 iso 0 dist 7.09381 5.83388 8.36195 12.8125 11.2009 8.94643 numMergedOcc 0
20 mol 28 unq 4 iso 0 dist 9.38747 16.276 8.94643 19.5297 12.5255 9.28621 numMergedOcc 0
21 mol 28 unq 5 iso 0 dist 9.38747 16.276 8.94643 14.3112 11.2009 8.36195 numMergedOcc 0
22 mol 28 unq 6 iso 0 dist 8.48456 7.3517 8.09862 14.5877 16.4082 8.97167 numMergedOcc 0
23 mol 28 unq 7 iso 0 dist 8.48456 6.13016 8.89114 14.5877 16.4082 8.8182 numMergedOcc 0
24 mol 28 unq 8 iso 0 dist 7.24073 6.51048 8.97167 13.0211 16.4082 8.09862 numMergedOcc 0
25 mol 28 unq 9 iso 0 dist 7.24073 4.18951 8.8182 13.0211 16.4082 8.89114 numMergedOcc 0
26 mol 28 unq 10 iso 0 dist 8.99724 15.0049 8.94643 21.1908 12.5255 9.28621 numMergedOcc 0
27 mol 28 unq 11 iso 0 dist 8.99724 15.0049 8.94643 18.4276 11.2009 8.36195 numMergedOcc 0
28 mol 30 unq 0 iso 0 dist 8.25499 5.92977 6.93011 13.8627 9.60272 9.71995 numMergedOcc 0
29 mol 32 unq 0 iso 0 dist 7.13608 7.23274 5.42426 4.95327 5.07181 8.03553 numMergedOcc 0
30 mol 32 unq 1 iso 0 dist 4.95327 7.23274 8.03553 7.13608 5.07181 5.42426 numMergedOcc 0
31 mol 32 unq 2 iso 0 dist 9.46895 6.59787 5.42426 13.182 5.07181 8.03553 numMergedOcc 0
32 mol 34 unq 0 iso 0 dist 7.50918 6.64208 8.73053 9.18907 4.22783 7.07087 numMergedOcc 0
33 mol 34 unq 1 iso 0 dist 9.18907 6.64208 7.07087 7.50918 4.22783 8.73053 numMergedOcc 0
34 mol 48 unq 0 iso 0 dist 9.78023 11.213 9.55284 11.7677 5.13868 7.36877 numMergedOcc 0
35 mol 48 unq 1 iso 0 dist 9.79657 10.6247 8.52681 11.7677 5.43494 7.33788 numMergedOcc 0
36 mol 48 unq 2 iso 0 dist 9.79657 7.07594 9.98769 11.7677 5.43494 9.74351 numMergedOcc 0
37 mol 73 unq 0 iso 0 dist 6.7939 8.50831 7.9575 6.85356 4.56026 5.88827 numMergedOcc 0
38 mol 73 unq 1 iso 0 dist 6.85356 8.50831 5.88827 6.7939 4.56026 7.9575 numMergedOcc 0
39 mol 73 unq 2 iso 0 dist 8.44695 11.1595 7.9575 11.9229 4.56026 5.88827 numMergedOcc 0
40 mol 73 unq 3 iso 0 dist 5.68894 10.3098 7.9575 7.32265 4.56026 5.88827 numMergedOcc 0
41 mol 73 unq 4 iso 0 dist 7.32265 10.3098 5.88827 5.68894 4.56026 7.9575 numMergedOcc 0
42 mol 193 unq 0 iso 0 dist 7.71716 3.72752 9.50113 12.0932 13.7578 9.00084 numMergedOcc 0
43 mol 193 unq 1 iso 0 dist 8.71993 16.1667 9.50113 20.7897 13.7578 9.00084 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 8.96263 6.81831 7.80646 7.35677 5.19836 5.95109 numMergedOcc 0
45 mol 224 unq 1 iso 0 dist 7.35677 6.81831 5.95109 8.96263 5.19836 7.80646 numMergedOcc 0
46 mol 287 unq 0 iso 0 dist 8.47385 10.2357 5.44942 13.7511 5.42655 8.53689 numMergedOcc 0
47 mol 287 unq 1 iso 0 dist 8.47385 10.2357 5.44942 8.44356 8.72516 7.82157 numMergedOcc 0
48 mol 287 unq 2 iso 0 dist 8.44356 10.2357 7.82157 8.47385 8.72516 5.44942 numMergedOcc 0
49 mol 287 unq 3 iso 0 dist 8.44356 10.2357 7.82157 13.7511 12.4945 8.53689 numMergedOcc 0
50 mol 288 unq 0 iso 0 dist 8.47385 10.2357 5.44942 13.7511 5.42655 8.53689 numMergedOcc 0
51 mol 288 unq 1 iso 0 dist 8.47385 10.2357 5.44942 8.44356 8.72516 7.82157 numMergedOcc 0
52 mol 288 unq 2 iso 0 dist 8.44356 10.2357 7.82157 8.47385 8.72516 5.44942 numMergedOcc 0
53 mol 288 unq 3 iso 0 dist 8.44356 10.2357 7.82157 13.7511 12.4945 8.53689 numMergedOcc 0
54 mol 289 unq 0 iso 0 dist 8.47385 10.2357 5.44942 13.7511 5.42655 8.53689 numMergedOcc 0
55 mol 289 unq 1 iso 0 dist 8.47385 10.2357 5.44942 8.44356 8.72516 7.82157 numMergedOcc 0
56 mol 289 unq 2 iso 0 dist 8.44356 10.2357 7.82157 8.47385 8.72516 5.44942 numMergedOcc 0
57 mol 289 unq 3 iso 0 dist 8.44356 10.2357 7.82157 13.7511 12.4945 8.53689 numMergedOcc 0
