0 mol 18 unq 0 iso 0 dist 4.66195 6.21002 8.02753 5.66329 8.11835 7.76823 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.36742 4.52042 7.98005 8.90517 8.97754 7.11305 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 6.89423 10.0517 8.91596 12.9345 8.78511 10.7345 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.48195 5.3372 9.99939 4.25802 7.34832 7.7766 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 7.07773 4.30086 9.99939 8.03682 7.34832 7.7766 numMergedOcc 0
5 mol 36 unq 0 iso 0 dist 7.90158 4.96139 8.41542 7.57143 5.70939 4.59725 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 8.99393 9.79109 9.45756 6.97552 5.4713 12.3186 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 9.55023 12.9158 8.06267 15.057 9.63906 5.74372 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 4.39888 6.13436 8.06267 8.48041 9.63906 5.74372 numMergedOcc 0
9 mol 68 unq 2 iso 0 dist 5.29595 6.13436 5.88334 8.48041 7.71872 5.74372 numMergedOcc 0
10 mol 107 unq 0 iso 0 dist 9.4238 5.13248 9.45682 10.1677 5.31375 10.1994 numMergedOcc 0
11 mol 107 unq 1 iso 0 dist 9.4238 5.13248 9.45682 10.1326 6.49371 12.9752 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 8.0237 8.892 8.51123 7.97496 7.54274 3.87365 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 8.0933 7.35357 8.111 6.95141 4.14492 4.1335 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 8.92048 5.65454 8.39897 4.21146 7.7464 8.57851 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 8.92048 5.65454 8.39897 8.49014 5.12272 10.5361 numMergedOcc 0
16 mol 147 unq 2 iso 0 dist 8.92048 9.26637 9.03078 4.21146 7.7464 9.14906 numMergedOcc 0
17 mol 147 unq 3 iso 0 dist 8.92048 9.26637 9.03078 8.49014 5.12272 8.88819 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.45086 8.3612 9.65093 11.0504 9.4366 11.6282 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 7.26295 15.6354 9.52922 11.023 4.45769 10.0756 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 7.26295 15.6354 9.52922 12.3736 8.99961 16.4082 numMergedOcc 0
21 mol 194 unq 2 iso 0 dist 7.31316 14.1448 9.38984 11.023 5.89939 13.9836 numMergedOcc 0
22 mol 194 unq 3 iso 0 dist 7.31316 14.1448 9.38984 12.3736 8.18853 13.9116 numMergedOcc 0
23 mol 194 unq 4 iso 0 dist 7.31316 12.1716 9.91118 11.023 5.89939 15.5573 numMergedOcc 0
24 mol 194 unq 5 iso 0 dist 7.31316 12.1716 9.91118 12.3736 8.18853 16.1172 numMergedOcc 0
25 mol 194 unq 6 iso 0 dist 8.9865 8.50813 9.38984 9.72284 5.89939 13.9836 numMergedOcc 0
26 mol 194 unq 7 iso 0 dist 8.9865 8.50813 9.38984 8.10284 8.18853 13.9116 numMergedOcc 0
27 mol 194 unq 8 iso 0 dist 8.9865 12.6254 9.91118 9.72284 5.89939 15.5573 numMergedOcc 0
28 mol 194 unq 9 iso 0 dist 8.9865 12.6254 9.91118 8.10284 8.18853 16.1172 numMergedOcc 0
29 mol 231 unq 0 iso 0 dist 6.8533 10.613 7.3268 9.55173 8.48015 4.15084 numMergedOcc 0
30 mol 251 unq 0 iso 0 dist 9.20256 14.0672 8.45764 7.52349 7.72528 11.5298 numMergedOcc 0
31 mol 252 unq 0 iso 0 dist 7.38867 12.4004 8.55044 8.846 9.81261 12.2555 numMergedOcc 0
32 mol 256 unq 0 iso 0 dist 8.3597 9.94789 4.80903 5.01478 7.32564 6.30188 numMergedOcc 0
