0 mol 44 unq 0 iso 0 dist 8.27424 7.16036 8.93739 11.0716 16.1055 9.96265 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 8.27424 7.16036 8.93739 7.93542 12.9442 9.70459 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 8.27424 7.16036 8.93739 4.61354 11.6594 7.78905 numMergedOcc 0
3 mol 44 unq 3 iso 0 dist 8.27424 7.16036 8.93739 6.03595 13.8406 9.44909 numMergedOcc 0
4 mol 44 unq 4 iso 0 dist 6.4519 7.16036 6.65149 11.0716 15.0548 9.96265 numMergedOcc 0
5 mol 44 unq 5 iso 0 dist 6.4519 7.16036 6.65149 7.93542 12.5723 9.70459 numMergedOcc 0
6 mol 44 unq 6 iso 0 dist 6.4519 7.16036 6.65149 4.61354 10.2296 7.78905 numMergedOcc 0
7 mol 44 unq 7 iso 0 dist 6.4519 7.16036 6.65149 6.03595 11.0179 9.44909 numMergedOcc 0
8 mol 46 unq 0 iso 0 dist 8.99557 8.2513 17.0196 10.0786 16.3923 9.77553 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 6.17977 7.67586 5.34079 5.74095 4.67917 6.65344 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 8.63732 6.89185 6.6573 4.67605 9.28654 9.10981 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 8.63732 7.97217 4.41538 5.93341 8.92399 9.44916 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 7.50417 7.80757 4.4651 10.928 9.46472 9.23023 numMergedOcc 0
13 mol 78 unq 3 iso 0 dist 7.50417 5.5849 9.31889 10.1482 13.5159 9.10981 numMergedOcc 0
14 mol 78 unq 4 iso 0 dist 8.29369 9.2835 7.17843 7.59211 9.84346 9.23023 numMergedOcc 0
15 mol 78 unq 5 iso 0 dist 6.75455 5.02591 7.17843 5.13304 9.84346 9.23023 numMergedOcc 0
16 mol 78 unq 6 iso 0 dist 6.28063 5.02591 4.4651 5.13304 9.46472 9.23023 numMergedOcc 0
17 mol 122 unq 0 iso 0 dist 4.38961 5.09114 4.42285 12.0108 11.3932 9.40018 numMergedOcc 0
18 mol 122 unq 1 iso 0 dist 4.38961 5.09114 4.42285 9.14438 10.8894 6.78949 numMergedOcc 0
19 mol 123 unq 0 iso 0 dist 8.64091 8.87148 4.07494 4.81545 6.4879 8.67193 numMergedOcc 0
20 mol 159 unq 0 iso 0 dist 8.73427 7.78695 7.64659 6.08143 13.0709 7.97007 numMergedOcc 0
21 mol 218 unq 0 iso 0 dist 8.59762 5.52981 4.94196 7.26513 9.57814 8.5119 numMergedOcc 0
22 mol 218 unq 1 iso 0 dist 9.42881 5.52981 11.7195 7.26513 16.6376 8.5119 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 6.37648 6.49599 7.49016 11.5386 15.2711 8.06771 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 6.37648 9.47382 9.84081 12.8939 16.5026 9.54857 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 8.50624 5.81421 7.602 4.86861 12.5877 7.04833 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 5.19015 7.22438 8.31324 7.51377 10.1234 9.96394 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 9.22345 5.69465 8.04474 7.13877 12.7106 9.20416 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 9.22345 5.69465 8.04474 10.9754 8.35169 7.53641 numMergedOcc 0
