0 mol 43 unq 0 iso 0 dist 8.60396 8.99509 14.9742 9.9451 13.0593 10.7805 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.60396 8.47617 12.7554 9.9451 13.0593 13.5667 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.60396 5.73331 9.56289 9.9451 13.0593 7.42491 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.60396 8.48694 6.44102 9.9451 13.0593 8.21467 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.7385 7.63534 6.35022 9.2958 5.91638 6.45686 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.7385 7.63534 6.35022 8.23534 5.44062 4.3931 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 9.04935 7.79726 12.1055 6.9297 6.04435 6.79583 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 7.62621 8.00525 10.2967 4.86532 10.4949 4.57085 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.84466 9.10877 12.5871 6.70158 12.9548 11.1029 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 8.84466 9.10877 12.5871 7.29701 15.595 10.3849 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 9.2948 9.10877 13.6269 6.70158 13.6308 11.1029 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 9.2948 9.10877 13.6269 7.29701 4.38413 10.3849 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.99121 5.22628 6.59772 9.19273 12.7351 6.40494 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 6.30982 5.22628 4.86477 9.19273 9.25102 6.40494 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 6.12404 5.22628 5.24961 9.19273 4.08294 6.40494 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.59311 8.94909 14.4095 9.68996 6.00816 17.3514 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 9.22456 8.94909 17.145 9.68996 8.76048 17.3514 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 5.7232 8.94909 5.37072 9.68996 14.6925 17.3514 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 5.70772 9.23551 10.5583 6.6094 10.7246 5.50251 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 7.76856 9.09857 10.6484 6.07708 5.04427 5.70743 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.94464 9.50454 9.32503 5.87853 10.0344 6.29863 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 8.94464 7.15963 13.2985 5.87853 10.0344 5.6044 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 8.63713 9.50454 8.88398 5.87853 3.90972 6.29863 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 8.63713 7.15963 4.98009 5.87853 3.90972 5.6044 numMergedOcc 0
24 mol 181 unq 4 iso 0 dist 5.08796 6.43406 4.3158 9.0234 6.78739 7.77758 numMergedOcc 0
25 mol 181 unq 5 iso 0 dist 5.93515 6.43406 4.3226 9.0234 11.3693 7.77758 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 7.45384 8.84116 5.40899 7.77211 13.0423 11.7409 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 7.45384 8.16369 4.94882 7.77211 13.0423 14.8119 numMergedOcc 0
28 mol 236 unq 0 iso 0 dist 4.43243 5.99137 4.15973 7.87572 9.5878 13.1168 numMergedOcc 0
29 mol 236 unq 1 iso 0 dist 5.92025 5.99137 9.01197 7.87572 5.55311 13.1168 numMergedOcc 0
30 mol 236 unq 2 iso 0 dist 9.04819 5.99137 14.6016 7.87572 4.28296 13.1168 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 8.92585 6.51823 10.7712 6.62283 5.18265 10.4017 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 8.92585 6.51823 10.7712 8.60978 4.30687 7.95232 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 6.84088 6.92721 9.86326 9.26512 15.9388 11.169 numMergedOcc 0
34 mol 239 unq 1 iso 0 dist 6.84088 6.92721 9.86326 9.2495 5.38925 9.59042 numMergedOcc 0
35 mol 239 unq 2 iso 0 dist 6.84088 6.92721 9.86326 5.82804 4.22981 5.88931 numMergedOcc 0
36 mol 267 unq 0 iso 0 dist 9.60447 6.19138 10.2663 8.22601 6.80244 5.89182 numMergedOcc 0
37 mol 267 unq 1 iso 0 dist 9.60447 6.19138 10.2663 6.55433 4.36261 8.37094 numMergedOcc 0
