0 mol 30 unq 0 iso 0 dist 7.2159 5.5814 5.39896 8.98564 10.4174 5.53425 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 7.2159 5.5814 5.39896 7.51725 5.53262 4.20285 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 8.93093 5.5814 8.16648 8.98564 7.91033 5.53425 numMergedOcc 0
3 mol 30 unq 3 iso 0 dist 8.93093 5.5814 8.16648 7.51725 4.79123 4.20285 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 7.85573 7.78905 6.07691 5.84744 9.37301 6.16718 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 9.52763 7.20538 7.91078 7.93171 9.4516 9.96534 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.70925 8.67532 4.49951 9.762 5.17759 5.9144 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 9.81273 4.99966 10.6649 4.49975 7.07978 4.65519 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 6.67575 4.99966 6.35372 4.49975 7.93499 4.65519 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.39253 7.91337 9.09785 5.90003 4.80926 6.30721 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.39253 6.40546 11.6714 5.90003 4.80926 10.5082 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 9.44788 8.82535 7.64443 9.10803 6.14609 9.20252 numMergedOcc 0
12 mol 119 unq 3 iso 0 dist 9.44788 6.18763 6.83988 9.10803 6.14609 9.85023 numMergedOcc 0
13 mol 119 unq 4 iso 0 dist 9.44788 8.44385 14.8957 9.10803 6.14609 12.4829 numMergedOcc 0
14 mol 119 unq 5 iso 0 dist 9.44788 5.63005 12.1168 9.10803 6.14609 8.84069 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.71223 8.96988 9.653 9.18289 5.32701 13.0315 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 9.71223 8.96988 9.653 6.52441 10.2318 10.6555 numMergedOcc 0
17 mol 186 unq 2 iso 0 dist 9.71223 8.96988 9.653 6.26168 9.33116 5.75483 numMergedOcc 0
18 mol 219 unq 0 iso 0 dist 9.52151 4.87446 10.9246 9.74779 5.05436 8.8527 numMergedOcc 0
19 mol 219 unq 1 iso 0 dist 9.52151 7.49235 13.5876 9.74779 5.05436 11.4193 numMergedOcc 0
20 mol 219 unq 2 iso 0 dist 8.62654 4.87446 10.1098 9.74779 15.7107 8.8527 numMergedOcc 0
21 mol 219 unq 3 iso 0 dist 8.62654 7.49235 5.49378 9.74779 15.7107 11.4193 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 7.0795 9.86371 9.65126 9.31012 4.72676 6.46884 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 6.14732 9.07872 13.552 7.90991 6.55395 13.2135 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 9.46728 8.59074 16.5687 8.56975 12.4194 7.06793 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 7.97113 9.12507 13.3027 4.95855 10.2743 7.09907 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 7.97113 9.12507 13.3027 7.72489 11.46 9.71793 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 5.22111 9.12507 12.3218 4.95855 7.06301 7.09907 numMergedOcc 0
28 mol 259 unq 3 iso 0 dist 5.22111 9.12507 12.3218 7.72489 7.80863 9.71793 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 9.8799 7.36905 13.9464 9.13546 11.217 5.71153 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 9.8799 7.36905 13.9464 8.7365 9.42483 6.87635 numMergedOcc 0
31 mol 264 unq 2 iso 0 dist 9.8799 6.83408 5.11257 9.13546 11.217 6.56539 numMergedOcc 0
32 mol 264 unq 3 iso 0 dist 9.8799 6.83408 5.11257 8.7365 9.42483 4.76241 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 8.26851 6.55855 13.002 4.97796 5.9397 8.87855 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 8.26851 9.52894 17.6855 4.97796 5.9397 13.0867 numMergedOcc 0
35 mol 274 unq 2 iso 0 dist 8.14634 6.55855 10.2307 4.97796 4.89003 8.87855 numMergedOcc 0
36 mol 274 unq 3 iso 0 dist 8.14634 9.52894 16.0912 4.97796 4.89003 13.0867 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 8.92332 5.75596 13.9754 9.7061 16.0657 5.50627 numMergedOcc 0
38 mol 292 unq 1 iso 0 dist 8.92332 9.11438 10.1063 9.7061 16.0657 11.5965 numMergedOcc 0
39 mol 292 unq 2 iso 0 dist 8.92332 8.37867 5.4258 9.7061 16.0657 14.7162 numMergedOcc 0
