0 mol 8 unq 0 iso 0 dist 8.94096 14.5611 7.12263 6.69972 5.00267 9.515 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 8.94096 6.69972 5.00267 14.5611 7.12263 9.515 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.07858 12.9762 7.12263 6.3125 5.00267 9.515 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 9.07858 6.3125 5.00267 12.9762 7.12263 9.515 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 8.98797 5.73443 6.91393 11.075 8.40038 6.44494 numMergedOcc 0
5 mol 56 unq 0 iso 1 dist 8.98797 11.075 8.40038 5.73443 6.91393 6.44494 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 7.54496 10.2107 7.51138 10.6903 9.86843 8.04554 numMergedOcc 0
7 mol 90 unq 0 iso 1 dist 7.54496 10.6903 9.86843 10.2107 7.51138 8.04554 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 7.54496 10.2107 7.51138 10.968 6.86146 8.25639 numMergedOcc 0
9 mol 90 unq 1 iso 1 dist 7.54496 10.968 6.86146 10.2107 7.51138 8.25639 numMergedOcc 0
10 mol 90 unq 2 iso 0 dist 7.54496 10.2107 7.51138 5.69605 8.83296 12.234 numMergedOcc 0
11 mol 90 unq 2 iso 1 dist 7.54496 5.69605 8.83296 10.2107 7.51138 12.234 numMergedOcc 0
12 mol 90 unq 1 iso 0 dist 7.54496 10.6903 9.86843 10.968 6.86146 5.13197 numMergedOcc 0
13 mol 90 unq 1 iso 1 dist 7.54496 10.968 6.86146 10.6903 9.86843 5.13197 numMergedOcc 0
14 mol 90 unq 2 iso 0 dist 7.54496 10.6903 9.86843 5.69605 8.83296 8.66327 numMergedOcc 0
15 mol 90 unq 2 iso 1 dist 7.54496 5.69605 8.83296 10.6903 9.86843 8.66327 numMergedOcc 0
16 mol 90 unq 2 iso 0 dist 7.54496 10.968 6.86146 5.69605 8.83296 8.87987 numMergedOcc 0
17 mol 90 unq 2 iso 1 dist 7.54496 5.69605 8.83296 10.968 6.86146 8.87987 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 9.20197 4.35316 8.03028 10.4552 7.39754 7.72337 numMergedOcc 0
19 mol 92 unq 0 iso 1 dist 9.20197 10.4552 7.39754 4.35316 8.03028 7.72337 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 8.30176 4.94804 7.39754 4.76302 9.01011 6.9603 numMergedOcc 0
21 mol 92 unq 1 iso 1 dist 8.30176 4.76302 9.01011 4.94804 7.39754 6.9603 numMergedOcc 0
22 mol 93 unq 0 iso 0 dist 7.85041 9.97157 5.51624 8.01991 7.8674 12.9364 numMergedOcc 0
23 mol 93 unq 0 iso 1 dist 7.85041 8.01991 7.8674 9.97157 5.51624 12.9364 numMergedOcc 0
24 mol 140 unq 0 iso 0 dist 8.01587 5.39245 6.98813 9.56001 5.39314 10.1342 numMergedOcc 0
25 mol 140 unq 0 iso 1 dist 8.01587 9.56001 5.39314 5.39245 6.98813 10.1342 numMergedOcc 0
26 mol 156 unq 0 iso 0 dist 9.54367 14.2138 4.9941 10.5496 8.06913 11.9157 numMergedOcc 0
27 mol 156 unq 0 iso 1 dist 9.54367 10.5496 8.06913 14.2138 4.9941 11.9157 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 7.26859 10.1294 4.9941 9.19336 8.06913 11.9157 numMergedOcc 0
29 mol 156 unq 1 iso 1 dist 7.26859 9.19336 8.06913 10.1294 4.9941 11.9157 numMergedOcc 0
30 mol 193 unq 0 iso 0 dist 8.76185 11.5632 5.44396 5.08201 6.22972 6.94466 numMergedOcc 0
31 mol 193 unq 0 iso 1 dist 8.76185 5.08201 6.22972 11.5632 5.44396 6.94466 numMergedOcc 0
32 mol 194 unq 0 iso 0 dist 9.77862 12.0339 5.52678 18.7006 9.81666 7.62717 numMergedOcc 0
33 mol 194 unq 0 iso 1 dist 9.77862 18.7006 9.81666 12.0339 5.52678 7.62717 numMergedOcc 0
34 mol 237 unq 0 iso 0 dist 7.33613 8.97735 7.63812 10.415 8.51129 6.92726 numMergedOcc 0
35 mol 237 unq 0 iso 1 dist 7.33613 10.415 8.51129 8.97735 7.63812 6.92726 numMergedOcc 0
36 mol 237 unq 1 iso 0 dist 7.35569 16.0031 9.84466 10.1969 6.16557 7.27576 numMergedOcc 0
37 mol 237 unq 1 iso 1 dist 7.35569 10.1969 6.16557 16.0031 9.84466 7.27576 numMergedOcc 0
38 mol 237 unq 2 iso 0 dist 7.35569 16.0031 9.84466 7.50329 5.4813 9.95884 numMergedOcc 0
39 mol 237 unq 2 iso 1 dist 7.35569 7.50329 5.4813 16.0031 9.84466 9.95884 numMergedOcc 0
40 mol 237 unq 2 iso 0 dist 7.35569 10.1969 6.16557 7.50329 5.4813 7.02925 numMergedOcc 0
41 mol 237 unq 2 iso 1 dist 7.35569 7.50329 5.4813 10.1969 6.16557 7.02925 numMergedOcc 0
