0 mol 8 unq 0 iso 0 dist 5.46588 7.20987 8.94096 10.4545 13.7792 6.82379 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 5.46588 7.20987 8.94096 10.4255 10.6893 6.24978 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 5.46588 7.20987 8.94096 14.9792 13.8882 9.66439 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 5.46588 7.20987 8.94096 13.6972 12.8924 7.3915 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 8.6405 15.2304 9.07858 21.7321 15.4959 6.82379 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 8.6405 15.2304 9.07858 19.9477 12.0818 6.24978 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 8.6405 15.2304 9.07858 20.0632 11.4738 9.66439 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 8.6405 15.2304 9.07858 12.7089 4.85329 7.3915 numMergedOcc 0
8 mol 13 unq 0 iso 0 dist 6.80105 12.5224 8.00865 17.8739 13.1699 5.78148 numMergedOcc 0
9 mol 13 unq 1 iso 0 dist 6.80105 12.5224 8.00865 16.8021 10.5634 6.26071 numMergedOcc 0
10 mol 13 unq 2 iso 0 dist 6.80105 12.5224 8.00865 15.3698 8.66829 8.43325 numMergedOcc 0
11 mol 13 unq 3 iso 0 dist 7.14622 9.35029 8.00865 15.0383 13.1699 5.78148 numMergedOcc 0
12 mol 13 unq 4 iso 0 dist 7.14622 9.35029 8.00865 14.2915 10.5634 6.26071 numMergedOcc 0
13 mol 13 unq 5 iso 0 dist 7.14622 9.35029 8.00865 12.7505 8.66829 8.43325 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 6.80822 5.33732 8.5404 8.23292 4.70708 6.6492 numMergedOcc 0
15 mol 56 unq 0 iso 0 dist 6.28472 14.5227 8.98797 14.2601 11.2318 8.63486 numMergedOcc 0
16 mol 94 unq 0 iso 0 dist 9.09847 7.249 5.18655 14.6421 8.20144 8.16733 numMergedOcc 0
17 mol 94 unq 1 iso 0 dist 9.09847 7.249 5.18655 17.1104 11.997 9.97569 numMergedOcc 0
18 mol 94 unq 2 iso 0 dist 5.20598 8.74219 5.18655 12.7465 8.20144 8.16733 numMergedOcc 0
19 mol 94 unq 3 iso 0 dist 5.20598 8.74219 5.18655 14.8028 11.997 9.97569 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 6.36583 11.6071 9.87025 11.4157 6.35763 7.99857 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 6.36583 11.6071 9.87025 13.2459 10.0197 8.56342 numMergedOcc 0
22 mol 120 unq 0 iso 0 dist 6.93009 6.87987 8.43028 10.3269 8.94259 8.93905 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 8.22353 6.36527 6.40901 12.703 5.44503 8.41611 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 8.22353 11.8891 9.40626 12.703 5.44503 7.63338 numMergedOcc 0
25 mol 143 unq 2 iso 0 dist 8.57285 11.1239 6.40901 7.5984 5.44503 8.41611 numMergedOcc 0
26 mol 143 unq 3 iso 0 dist 8.57285 14.3979 9.40626 7.5984 5.44503 7.63338 numMergedOcc 0
27 mol 189 unq 0 iso 0 dist 4.96433 10.9398 8.32712 15.5908 11.3081 8.56355 numMergedOcc 0
28 mol 189 unq 1 iso 0 dist 7.65477 8.0379 9.6013 13.6561 10.3197 8.56355 numMergedOcc 0
29 mol 189 unq 2 iso 0 dist 8.2926 8.0379 8.32712 13.6561 11.3081 8.56355 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 7.741 3.97757 8.50907 11.4831 14.8202 8.0144 numMergedOcc 0
31 mol 204 unq 1 iso 0 dist 7.741 3.97757 8.50907 10.1714 7.0418 7.80841 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 6.96139 4.08418 7.2498 7.77535 7.62375 7.05523 numMergedOcc 0
33 mol 214 unq 1 iso 0 dist 6.96139 4.08418 7.2498 11.9696 10.7373 8.46327 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 6.40309 11.5358 7.61203 13.4635 11.6239 5.52379 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 7.87164 11.5358 9.47845 13.4635 13.9614 5.52379 numMergedOcc 0
36 mol 248 unq 0 iso 0 dist 9.83514 4.01898 8.53148 6.44967 6.48757 6.17052 numMergedOcc 0
37 mol 248 unq 1 iso 0 dist 9.83514 4.01898 8.53148 11.4848 5.51827 9.77666 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 6.45422 6.5841 5.57515 13.9538 13.6996 8.47784 numMergedOcc 0
39 mol 252 unq 1 iso 0 dist 6.45422 6.5841 5.57515 13.306 7.35945 8.66469 numMergedOcc 0
40 mol 294 unq 0 iso 0 dist 8.05845 5.62181 8.32473 11.4441 6.17102 9.13907 numMergedOcc 0
41 mol 294 unq 1 iso 0 dist 8.73893 15.0943 8.32473 14.4559 6.17102 9.13907 numMergedOcc 0
