0 mol 24 unq 0 iso 0 dist 5.9372 4.15946 6.93597 11.6859 9.58192 11.076 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.93597 4.15946 5.9372 11.076 9.58192 11.6859 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.82851 4.36675 9.11311 5.29055 8.97754 4.76998 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 9.11311 4.36675 9.82851 4.76998 8.97754 5.29055 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 5.82264 11.4396 8.56365 5.50677 7.7927 11.8248 numMergedOcc 0
5 mol 48 unq 0 iso 1 dist 8.56365 11.4396 5.82264 11.8248 7.7927 5.50677 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 5.82264 11.4396 8.56365 3.90503 6.17378 9.10288 numMergedOcc 0
7 mol 48 unq 1 iso 1 dist 8.56365 11.4396 5.82264 9.10288 6.17378 3.90503 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 6.86517 8.25967 8.33791 3.99035 9.04293 6.69352 numMergedOcc 0
9 mol 79 unq 0 iso 1 dist 8.33791 8.25967 6.86517 6.69352 9.04293 3.99035 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 6.86517 8.25967 8.33791 4.53016 4.78333 6.0749 numMergedOcc 0
11 mol 79 unq 1 iso 1 dist 8.33791 8.25967 6.86517 6.0749 4.78333 4.53016 numMergedOcc 0
12 mol 79 unq 2 iso 0 dist 6.2576 6.70789 8.96069 4.03842 7.92114 10.6312 numMergedOcc 0
13 mol 79 unq 2 iso 1 dist 8.96069 6.70789 6.2576 10.6312 7.92114 4.03842 numMergedOcc 0
14 mol 79 unq 3 iso 0 dist 6.2576 6.70789 8.96069 3.81317 8.18375 4.08868 numMergedOcc 0
15 mol 79 unq 3 iso 1 dist 8.96069 6.70789 6.2576 4.08868 8.18375 3.81317 numMergedOcc 0
16 mol 79 unq 4 iso 0 dist 6.2576 7.7277 7.56495 4.03842 7.92114 9.78235 numMergedOcc 0
17 mol 79 unq 4 iso 1 dist 7.56495 7.7277 6.2576 9.78235 7.92114 4.03842 numMergedOcc 0
18 mol 79 unq 5 iso 0 dist 6.2576 7.7277 7.56495 3.81317 8.18375 6.06691 numMergedOcc 0
19 mol 79 unq 5 iso 1 dist 7.56495 7.7277 6.2576 6.06691 8.18375 3.81317 numMergedOcc 0
20 mol 79 unq 4 iso 0 dist 8.96069 7.2005 7.56495 10.6312 7.92114 9.78235 numMergedOcc 0
21 mol 79 unq 4 iso 1 dist 7.56495 7.2005 8.96069 9.78235 7.92114 10.6312 numMergedOcc 0
22 mol 79 unq 5 iso 0 dist 8.96069 7.2005 7.56495 4.08868 8.18375 6.06691 numMergedOcc 0
23 mol 79 unq 5 iso 1 dist 7.56495 7.2005 8.96069 6.06691 8.18375 4.08868 numMergedOcc 0
24 mol 158 unq 0 iso 0 dist 4.6512 6.5476 9.45696 4.09908 6.77583 9.81176 numMergedOcc 0
25 mol 158 unq 0 iso 1 dist 9.45696 6.5476 4.6512 9.81176 6.77583 4.09908 numMergedOcc 0
26 mol 169 unq 0 iso 0 dist 7.85698 4.2485 6.35799 7.40692 7.65903 9.68109 numMergedOcc 0
27 mol 169 unq 0 iso 1 dist 6.35799 4.2485 7.85698 9.68109 7.65903 7.40692 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 9.31569 14.6052 8.72743 10.6999 8.92135 6.18065 numMergedOcc 0
29 mol 186 unq 0 iso 1 dist 8.72743 14.6052 9.31569 6.18065 8.92135 10.6999 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 5.59832 12.0318 9.17562 5.28417 4.97301 7.25932 numMergedOcc 0
31 mol 205 unq 0 iso 1 dist 9.17562 12.0318 5.59832 7.25932 4.97301 5.28417 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 9.30639 6.85131 6.24462 4.67663 6.39673 4.00869 numMergedOcc 0
33 mol 222 unq 0 iso 1 dist 6.24462 6.85131 9.30639 4.00869 6.39673 4.67663 numMergedOcc 0
34 mol 222 unq 1 iso 0 dist 9.30639 6.85131 6.24462 6.37382 7.80676 9.60662 numMergedOcc 0
35 mol 222 unq 1 iso 1 dist 6.24462 6.85131 9.30639 9.60662 7.80676 6.37382 numMergedOcc 0
36 mol 222 unq 2 iso 0 dist 9.30639 6.76935 6.02034 4.67663 6.39673 6.23984 numMergedOcc 0
37 mol 222 unq 2 iso 1 dist 6.02034 6.76935 9.30639 6.23984 6.39673 4.67663 numMergedOcc 0
38 mol 222 unq 3 iso 0 dist 9.30639 6.76935 6.02034 6.37382 7.80676 7.13962 numMergedOcc 0
39 mol 222 unq 3 iso 1 dist 6.02034 6.76935 9.30639 7.13962 7.80676 6.37382 numMergedOcc 0
40 mol 222 unq 2 iso 0 dist 6.24462 4.19322 6.02034 4.00869 6.39673 6.23984 numMergedOcc 0
41 mol 222 unq 2 iso 1 dist 6.02034 4.19322 6.24462 6.23984 6.39673 4.00869 numMergedOcc 0
42 mol 222 unq 3 iso 0 dist 6.24462 4.19322 6.02034 9.60662 7.80676 7.13962 numMergedOcc 0
43 mol 222 unq 3 iso 1 dist 6.02034 4.19322 6.24462 7.13962 7.80676 9.60662 numMergedOcc 0
44 mol 256 unq 0 iso 0 dist 4.36333 6.10011 6.96483 4.10994 7.32564 3.90666 numMergedOcc 0
45 mol 256 unq 0 iso 1 dist 6.96483 6.10011 4.36333 3.90666 7.32564 4.10994 numMergedOcc 0
