0 mol 48 unq 0 iso 0 dist 5.36645 6.68961 7.14094 5.43913 3.63758 9.40261 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 5.36645 6.68961 7.14094 8.26877 6.88863 13.3796 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 8.89758 7.78899 6.474 8.10222 8.42491 10.6357 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 8.62769 9.87963 4.02037 6.81735 6.91496 4.9947 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.7754 8.52421 4.05832 5.26566 6.60361 3.73169 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 9.7754 8.52421 4.05832 6.27118 9.64558 7.15831 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.89021 7.69222 15.8457 9.85386 6.28792 13.815 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.89021 7.69222 15.8457 4.8983 10.8482 11.9118 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.89021 5.82056 14.3818 9.85386 6.28792 13.7005 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 9.89021 5.82056 14.3818 4.8983 10.8482 10.0644 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 9.89021 9.09115 16.9684 9.85386 6.28792 17.9011 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 9.89021 9.09115 16.9684 4.8983 10.8482 12.1501 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 4.83274 6.97936 6.77898 5.91098 3.69293 3.35924 numMergedOcc 0
13 mol 76 unq 1 iso 0 dist 7.89214 5.00466 6.77898 4.86523 3.69293 3.35924 numMergedOcc 0
14 mol 140 unq 0 iso 0 dist 9.41832 8.4449 6.29124 7.82005 9.54649 5.24385 numMergedOcc 0
15 mol 140 unq 1 iso 0 dist 5.44596 8.4449 5.65439 7.82005 4.56057 5.24385 numMergedOcc 0
16 mol 140 unq 2 iso 0 dist 9.69069 8.4449 5.62569 7.82005 9.9108 5.24385 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.32829 8.25953 15.9879 7.32974 5.62024 12.7357 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.08672 9.77333 7.31335 5.97886 11.0596 9.18271 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.57849 5.63283 6.37317 8.83628 4.69695 8.93955 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 9.4835 8.44407 13.9529 9.46274 4.15355 15.9748 numMergedOcc 0
21 mol 214 unq 1 iso 0 dist 9.4835 6.0155 8.52282 9.46274 4.15355 10.9698 numMergedOcc 0
22 mol 214 unq 2 iso 0 dist 9.4835 8.89981 8.48942 9.46274 4.15355 5.22858 numMergedOcc 0
23 mol 217 unq 0 iso 0 dist 5.10683 6.58871 4.64118 7.94351 5.62746 8.82823 numMergedOcc 0
24 mol 219 unq 0 iso 0 dist 8.09769 8.3704 11.3569 8.58891 10.0702 6.69913 numMergedOcc 0
25 mol 219 unq 1 iso 0 dist 7.24832 8.3704 4.78402 8.58891 5.0824 6.69913 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 8.55181 9.81589 10.9591 9.48672 8.59771 5.80505 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 7.72749 4.93584 4.74189 9.32456 7.64118 6.59398 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 8.82094 5.38409 5.12237 9.87477 4.95884 6.69425 numMergedOcc 0
29 mol 273 unq 0 iso 0 dist 6.54753 8.66133 4.24707 8.13393 5.07045 9.06868 numMergedOcc 0
30 mol 273 unq 1 iso 0 dist 6.54753 6.95569 12.634 8.13393 5.07045 11.8515 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 9.84188 9.91103 19.0436 4.1545 13.7583 5.9732 numMergedOcc 0
32 mol 277 unq 1 iso 0 dist 9.84188 9.91103 19.0436 4.25172 13.6433 8.61922 numMergedOcc 0
33 mol 277 unq 2 iso 0 dist 9.84188 7.0603 15.7645 4.1545 13.7583 3.79766 numMergedOcc 0
34 mol 277 unq 3 iso 0 dist 9.84188 7.0603 15.7645 4.25172 13.6433 7.07613 numMergedOcc 0
35 mol 277 unq 4 iso 0 dist 8.35794 9.91103 17.6038 4.1545 11.8607 5.9732 numMergedOcc 0
36 mol 277 unq 5 iso 0 dist 8.35794 9.91103 17.6038 4.25172 10.9137 8.61922 numMergedOcc 0
37 mol 277 unq 6 iso 0 dist 8.35794 7.0603 14.772 4.1545 11.8607 3.79766 numMergedOcc 0
38 mol 277 unq 7 iso 0 dist 8.35794 7.0603 14.772 4.25172 10.9137 7.07613 numMergedOcc 0
39 mol 287 unq 0 iso 0 dist 7.13655 6.06665 4.79186 8.73403 8.77521 8.63376 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 7.13655 6.06665 4.79186 8.73403 8.77521 8.63376 numMergedOcc 0
41 mol 289 unq 0 iso 0 dist 7.13655 6.06665 4.79186 8.73403 8.77521 8.63376 numMergedOcc 0
