0 mol 5 unq 0 iso 0 dist 6.81899 9.22198 5.70932 6.01866 6.86923 9.95226 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.81899 8.91509 7.67464 6.01866 6.86923 4.60775 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 6.81899 7.89217 9.39982 6.01866 6.86923 8.64744 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 9.22198 6.81899 5.70932 6.01866 9.95226 6.86923 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 9.22198 8.91509 8.28622 6.01866 9.95226 4.60775 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 9.22198 7.89217 6.78181 6.01866 9.95226 8.64744 numMergedOcc 0
6 mol 5 unq 6 iso 0 dist 8.91509 6.81899 7.67464 6.01866 4.60775 6.86923 numMergedOcc 0
7 mol 5 unq 7 iso 0 dist 8.91509 9.22198 8.28622 6.01866 4.60775 9.95226 numMergedOcc 0
8 mol 5 unq 8 iso 0 dist 8.91509 7.89217 7.02829 6.01866 4.60775 8.64744 numMergedOcc 0
9 mol 5 unq 9 iso 0 dist 7.89217 6.81899 9.39982 6.01866 8.64744 6.86923 numMergedOcc 0
10 mol 5 unq 10 iso 0 dist 7.89217 9.22198 6.78181 6.01866 8.64744 9.95226 numMergedOcc 0
11 mol 5 unq 11 iso 0 dist 7.89217 8.91509 7.02829 6.01866 8.64744 4.60775 numMergedOcc 0
12 mol 28 unq 0 iso 0 dist 5.87633 7.09381 9.40652 6.73192 8.51428 13.7143 numMergedOcc 0
13 mol 28 unq 1 iso 0 dist 5.87633 7.09381 9.40652 5.83388 9.28621 8.36195 numMergedOcc 0
14 mol 28 unq 2 iso 0 dist 7.09381 5.87633 9.40652 5.83388 8.36195 9.28621 numMergedOcc 0
15 mol 28 unq 3 iso 0 dist 9.38747 9.05939 5.89728 16.276 8.94643 14.7266 numMergedOcc 0
16 mol 28 unq 4 iso 0 dist 8.99724 8.24422 5.89728 15.0049 8.94643 14.7266 numMergedOcc 0
17 mol 32 unq 0 iso 0 dist 7.13608 4.95327 5.07181 7.23274 5.42426 8.03553 numMergedOcc 0
18 mol 32 unq 1 iso 0 dist 4.95327 7.13608 5.07181 7.23274 8.03553 5.42426 numMergedOcc 0
19 mol 34 unq 0 iso 0 dist 7.50918 9.18907 4.22783 6.64208 8.73053 7.07087 numMergedOcc 0
20 mol 34 unq 1 iso 0 dist 9.18907 7.50918 4.22783 6.64208 7.07087 8.73053 numMergedOcc 0
21 mol 46 unq 0 iso 0 dist 7.43338 8.32948 5.5471 8.28528 7.44805 11.6889 numMergedOcc 0
22 mol 48 unq 0 iso 0 dist 9.78023 9.79657 6.26827 11.213 9.55284 10.9073 numMergedOcc 0
23 mol 48 unq 1 iso 0 dist 9.79657 9.78023 6.26827 10.6247 8.52681 10.6828 numMergedOcc 0
24 mol 48 unq 2 iso 0 dist 9.79657 9.78023 6.26827 7.07594 9.98769 10.9118 numMergedOcc 0
25 mol 64 unq 0 iso 0 dist 5.45684 7.66372 4.78627 4.80256 8.6701 11.9535 numMergedOcc 0
26 mol 64 unq 1 iso 0 dist 7.76644 9.99743 4.78627 5.13486 8.6701 11.9535 numMergedOcc 0
27 mol 73 unq 0 iso 0 dist 6.7939 6.85356 4.56026 8.50831 7.9575 5.88827 numMergedOcc 0
28 mol 73 unq 1 iso 0 dist 6.85356 6.7939 4.56026 8.50831 5.88827 7.9575 numMergedOcc 0
29 mol 73 unq 2 iso 0 dist 6.85356 6.7939 4.56026 14.8359 9.66175 9.53456 numMergedOcc 0
30 mol 73 unq 3 iso 0 dist 5.68894 7.32265 4.56026 10.3098 7.9575 5.88827 numMergedOcc 0
31 mol 73 unq 4 iso 0 dist 7.32265 5.68894 4.56026 10.3098 5.88827 7.9575 numMergedOcc 0
32 mol 73 unq 5 iso 0 dist 7.32265 5.68894 4.56026 6.35914 9.66175 9.53456 numMergedOcc 0
33 mol 87 unq 0 iso 0 dist 7.83828 7.10886 5.8502 6.09079 9.92157 12.1749 numMergedOcc 0
34 mol 165 unq 0 iso 0 dist 7.8052 8.20329 4.94677 11.4281 8.00005 12.7048 numMergedOcc 0
35 mol 174 unq 0 iso 0 dist 9.56869 7.37131 5.33032 5.01986 8.60718 9.40371 numMergedOcc 0
36 mol 203 unq 0 iso 0 dist 7.72215 5.46529 5.73409 9.99456 9.58652 12.8788 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 8.96263 7.35677 5.19836 6.81831 7.80646 5.95109 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 7.35677 8.96263 5.19836 6.81831 5.95109 7.80646 numMergedOcc 0
39 mol 261 unq 0 iso 0 dist 6.99444 8.25759 5.29945 9.24385 7.14871 10.3175 numMergedOcc 0
40 mol 282 unq 0 iso 0 dist 6.51248 8.30313 5.72971 9.17043 7.21879 11.1643 numMergedOcc 0
41 mol 287 unq 0 iso 0 dist 8.47385 9.30394 12.7579 10.2357 5.44942 16.4308 numMergedOcc 0
42 mol 287 unq 1 iso 0 dist 8.47385 8.5458 4.9954 10.2357 5.44942 9.67507 numMergedOcc 0
43 mol 287 unq 2 iso 0 dist 8.47385 8.44356 8.72516 10.2357 5.44942 7.82157 numMergedOcc 0
44 mol 287 unq 3 iso 0 dist 8.44356 9.30394 17.1913 10.2357 7.82157 16.4308 numMergedOcc 0
45 mol 287 unq 4 iso 0 dist 8.44356 9.30394 17.1913 5.27788 8.39976 13.5389 numMergedOcc 0
46 mol 287 unq 5 iso 0 dist 8.44356 8.5458 12.5806 10.2357 7.82157 9.67507 numMergedOcc 0
47 mol 287 unq 6 iso 0 dist 8.44356 8.5458 12.5806 5.27788 8.39976 13.7307 numMergedOcc 0
48 mol 287 unq 7 iso 0 dist 8.44356 8.47385 8.72516 10.2357 7.82157 5.44942 numMergedOcc 0
49 mol 287 unq 8 iso 0 dist 8.44356 8.47385 8.72516 5.27788 8.39976 12.688 numMergedOcc 0
50 mol 288 unq 0 iso 0 dist 8.47385 9.30394 12.7579 10.2357 5.44942 16.4308 numMergedOcc 0
51 mol 288 unq 1 iso 0 dist 8.47385 8.5458 4.9954 10.2357 5.44942 9.67507 numMergedOcc 0
52 mol 288 unq 2 iso 0 dist 8.47385 8.44356 8.72516 10.2357 5.44942 7.82157 numMergedOcc 0
53 mol 288 unq 3 iso 0 dist 8.44356 9.30394 17.1913 10.2357 7.82157 16.4308 numMergedOcc 0
54 mol 288 unq 4 iso 0 dist 8.44356 9.30394 17.1913 5.27788 8.39976 13.5389 numMergedOcc 0
55 mol 288 unq 5 iso 0 dist 8.44356 8.5458 12.5806 10.2357 7.82157 9.67507 numMergedOcc 0
56 mol 288 unq 6 iso 0 dist 8.44356 8.5458 12.5806 5.27788 8.39976 13.7307 numMergedOcc 0
57 mol 288 unq 7 iso 0 dist 8.44356 8.47385 8.72516 10.2357 7.82157 5.44942 numMergedOcc 0
58 mol 288 unq 8 iso 0 dist 8.44356 8.47385 8.72516 5.27788 8.39976 12.688 numMergedOcc 0
59 mol 289 unq 0 iso 0 dist 8.47385 9.30394 12.7579 10.2357 5.44942 16.4308 numMergedOcc 0
60 mol 289 unq 1 iso 0 dist 8.47385 8.5458 4.9954 10.2357 5.44942 9.67507 numMergedOcc 0
61 mol 289 unq 2 iso 0 dist 8.47385 8.44356 8.72516 10.2357 5.44942 7.82157 numMergedOcc 0
62 mol 289 unq 3 iso 0 dist 8.44356 9.30394 17.1913 10.2357 7.82157 16.4308 numMergedOcc 0
63 mol 289 unq 4 iso 0 dist 8.44356 9.30394 17.1913 5.27788 8.39976 13.5389 numMergedOcc 0
64 mol 289 unq 5 iso 0 dist 8.44356 8.5458 12.5806 10.2357 7.82157 9.67507 numMergedOcc 0
65 mol 289 unq 6 iso 0 dist 8.44356 8.5458 12.5806 5.27788 8.39976 13.7307 numMergedOcc 0
66 mol 289 unq 7 iso 0 dist 8.44356 8.47385 8.72516 10.2357 7.82157 5.44942 numMergedOcc 0
67 mol 289 unq 8 iso 0 dist 8.44356 8.47385 8.72516 5.27788 8.39976 12.688 numMergedOcc 0
