0 mol 43 unq 0 iso 0 dist 8.60396 8.99509 14.9742 9.9451 13.0593 10.7805 7.86479 4.89928 11.2061 11.8894 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.60396 8.47617 12.7554 9.9451 13.0593 13.5667 7.86479 4.89928 8.6477 11.8894 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.60396 5.73331 9.56289 9.9451 13.0593 7.42491 7.86479 4.89928 6.33831 11.8894 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.60396 8.48694 6.44102 9.9451 13.0593 8.21467 7.86479 4.89928 4.46233 11.8894 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.04935 7.79726 12.1055 6.9297 6.04435 6.79583 8.52697 10.0025 5.09159 3.99035 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 9.04935 7.79726 12.1055 6.9297 6.04435 6.79583 9.66612 10.8249 3.73197 5.45824 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 7.62621 8.00525 10.2967 4.86532 10.4949 4.57085 6.64714 6.44712 12.6799 10.6223 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 8.84466 9.10877 12.5871 6.70158 12.9548 11.1029 9.43355 3.91263 10.8106 14.433 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 8.84466 9.10877 12.5871 6.70158 12.9548 11.1029 5.64141 5.59024 7.14217 9.54244 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 8.84466 9.10877 12.5871 6.70158 12.9548 11.1029 5.46186 12.9872 12.9351 9.86691 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 8.84466 9.10877 12.5871 7.29701 15.595 10.3849 9.43355 3.91263 10.8106 14.9656 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 8.84466 9.10877 12.5871 7.29701 15.595 10.3849 5.64141 5.59024 7.14217 11.5397 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 8.84466 9.10877 12.5871 7.29701 15.595 10.3849 5.46186 12.9872 12.9351 5.43515 numMergedOcc 0
13 mol 93 unq 6 iso 0 dist 9.2948 9.10877 13.6269 6.70158 13.6308 11.1029 9.43355 15.8131 10.8106 14.433 numMergedOcc 0
14 mol 93 unq 7 iso 0 dist 9.2948 9.10877 13.6269 6.70158 13.6308 11.1029 5.64141 13.6266 7.14217 9.54244 numMergedOcc 0
15 mol 93 unq 8 iso 0 dist 9.2948 9.10877 13.6269 6.70158 13.6308 11.1029 5.46186 5.17052 12.9351 9.86691 numMergedOcc 0
16 mol 93 unq 9 iso 0 dist 9.2948 9.10877 13.6269 7.29701 4.38413 10.3849 9.43355 15.8131 10.8106 14.9656 numMergedOcc 0
17 mol 93 unq 10 iso 0 dist 9.2948 9.10877 13.6269 7.29701 4.38413 10.3849 5.64141 13.6266 7.14217 11.5397 numMergedOcc 0
18 mol 93 unq 11 iso 0 dist 9.2948 9.10877 13.6269 7.29701 4.38413 10.3849 5.46186 5.17052 12.9351 5.43515 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 7.99121 5.22628 6.59772 9.19273 12.7351 6.40494 9.26505 12.8905 6.95773 6.44969 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 6.30982 5.22628 4.86477 9.19273 9.25102 6.40494 9.26505 11.7277 6.95773 6.44969 numMergedOcc 0
21 mol 115 unq 2 iso 0 dist 6.12404 5.22628 5.24961 9.19273 4.08294 6.40494 9.26505 8.29196 6.95773 6.44969 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 5.59311 8.94909 14.4095 9.68996 6.00816 17.3514 7.33743 3.84992 15.0115 4.10674 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 9.22456 8.94909 17.145 9.68996 8.76048 17.3514 7.33743 5.68827 15.0115 4.10674 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 5.7232 8.94909 5.37072 9.68996 14.6925 17.3514 7.33743 11.5628 15.0115 4.10674 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 5.70772 9.23551 10.5583 6.6094 10.7246 5.50251 8.73613 11.5768 5.59468 3.88427 numMergedOcc 0
26 mol 173 unq 0 iso 0 dist 7.76856 9.09857 10.6484 6.07708 5.04427 5.70743 5.82174 9.35913 3.74688 4.60149 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 8.94464 9.50454 9.32503 5.87853 10.0344 6.29863 9.19831 7.88733 4.61184 5.14966 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 8.94464 7.15963 13.2985 5.87853 10.0344 5.6044 9.19831 7.88733 9.83826 5.14966 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 8.63713 9.50454 8.88398 5.87853 3.90972 6.29863 9.19831 5.76612 4.61184 5.14966 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 8.63713 7.15963 4.98009 5.87853 3.90972 5.6044 9.19831 5.76612 9.83826 5.14966 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 7.45384 8.84116 5.40899 7.77211 13.0423 11.7409 9.22792 14.8878 12.9384 8.65911 numMergedOcc 0
32 mol 186 unq 1 iso 0 dist 7.45384 8.84116 5.40899 7.77211 13.0423 11.7409 7.85696 12.1704 9.34394 5.48935 numMergedOcc 0
33 mol 186 unq 2 iso 0 dist 7.45384 8.84116 5.40899 7.77211 13.0423 11.7409 5.00402 10.8153 9.61375 3.87082 numMergedOcc 0
34 mol 186 unq 3 iso 0 dist 7.45384 8.84116 5.40899 7.77211 13.0423 11.7409 6.17773 7.87503 6.03488 5.94181 numMergedOcc 0
35 mol 186 unq 4 iso 0 dist 7.45384 8.16369 4.94882 7.77211 13.0423 14.8119 9.22792 14.8878 13.6489 8.65911 numMergedOcc 0
36 mol 186 unq 5 iso 0 dist 7.45384 8.16369 4.94882 7.77211 13.0423 14.8119 7.85696 12.1704 12.4503 5.48935 numMergedOcc 0
37 mol 186 unq 6 iso 0 dist 7.45384 8.16369 4.94882 7.77211 13.0423 14.8119 5.00402 10.8153 11.5563 3.87082 numMergedOcc 0
38 mol 186 unq 7 iso 0 dist 7.45384 8.16369 4.94882 7.77211 13.0423 14.8119 6.17773 7.87503 10.3727 5.94181 numMergedOcc 0
