0 mol 59 unq 0 iso 0 dist 5.8166 6.00486 5.41134 9.76644 6.07398 4.67917 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 5.8166 6.00486 5.41134 10.0566 4.58297 6.88924 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 5.8166 11.9828 8.61357 9.76644 6.07398 5.81747 numMergedOcc 0
3 mol 59 unq 3 iso 0 dist 5.8166 11.9828 8.61357 10.0566 4.58297 6.81975 numMergedOcc 0
4 mol 59 unq 4 iso 0 dist 6.47468 6.00486 9.23605 9.76644 11.9466 4.67917 numMergedOcc 0
5 mol 59 unq 5 iso 0 dist 6.47468 6.00486 9.23605 10.0566 10.8174 6.88924 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 5.75102 8.95258 7.28815 8.58853 4.29097 9.44364 numMergedOcc 0
7 mol 71 unq 1 iso 0 dist 8.80254 5.91587 7.28815 10.8192 4.29097 9.44364 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 7.76707 7.02849 8.56386 10.0196 5.8424 8.71274 numMergedOcc 0
9 mol 123 unq 1 iso 0 dist 7.63425 3.4208 8.56386 9.99172 5.8424 8.71274 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 9.10144 8.65247 7.16287 11.144 7.68244 8.883 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 4.46578 6.53566 5.9962 12.6871 9.5993 8.64946 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 9.89864 6.74862 9.21584 13.4496 8.77547 7.7264 numMergedOcc 0
13 mol 187 unq 0 iso 0 dist 5.26804 6.54244 5.82577 12.8306 8.91643 7.81168 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 7.6174 13.1272 7.54614 13.0541 6.92911 9.37229 numMergedOcc 0
15 mol 246 unq 0 iso 0 dist 4.7583 6.38727 7.63397 10.3709 9.48524 4.82671 numMergedOcc 0
16 mol 254 unq 0 iso 0 dist 9.26382 16.1098 8.76115 20.5483 12.3025 9.03136 numMergedOcc 0
17 mol 254 unq 1 iso 0 dist 9.73281 18.0832 8.76115 20.3549 12.3025 9.03136 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 9.49732 12.8939 8.06908 13.7729 6.92619 7.34794 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 8.73607 6.2861 5.76796 13.1683 6.37482 8.12306 numMergedOcc 0
