0 mol 26 unq 0 iso 0 dist 9.44899 9.79074 18.5662 8.54885 4.87741 16.1501 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 9.79074 9.44899 18.5662 8.54885 16.1501 4.87741 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 7.41403 9.28723 7.70197 8.90473 13.2728 9.97479 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 9.28723 7.41403 7.70197 8.90473 9.97479 13.2728 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.87499 8.2359 10.4823 7.15015 6.58841 11.9061 numMergedOcc 0
5 mol 30 unq 0 iso 1 dist 8.2359 8.87499 10.4823 7.15015 11.9061 6.58841 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 8.87499 8.2359 10.4823 3.68549 7.19972 6.67111 numMergedOcc 0
7 mol 30 unq 1 iso 1 dist 8.2359 8.87499 10.4823 3.68549 6.67111 7.19972 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.90372 6.09124 10.6185 9.29446 13.9318 4.81535 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 6.09124 8.90372 10.6185 9.29446 4.81535 13.9318 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 8.90372 6.09124 10.6185 5.8992 7.73661 6.83613 numMergedOcc 0
11 mol 78 unq 1 iso 1 dist 6.09124 8.90372 10.6185 5.8992 6.83613 7.73661 numMergedOcc 0
12 mol 110 unq 0 iso 0 dist 7.34054 7.36326 7.8037 7.77678 4.60073 5.33778 numMergedOcc 0
13 mol 110 unq 0 iso 1 dist 7.36326 7.34054 7.8037 7.77678 5.33778 4.60073 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.59599 7.76429 14.2424 6.0639 9.21913 11.1768 numMergedOcc 0
15 mol 186 unq 0 iso 1 dist 7.76429 7.59599 14.2424 6.0639 11.1768 9.21913 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 7.59599 7.76429 14.2424 6.91355 11.6591 6.22624 numMergedOcc 0
17 mol 186 unq 1 iso 1 dist 7.76429 7.59599 14.2424 6.91355 6.22624 11.6591 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 7.59599 7.73733 14.3544 6.0639 9.21913 7.03438 numMergedOcc 0
19 mol 186 unq 2 iso 1 dist 7.73733 7.59599 14.3544 6.0639 7.03438 9.21913 numMergedOcc 0
20 mol 186 unq 3 iso 0 dist 7.59599 7.73733 14.3544 6.91355 11.6591 5.22317 numMergedOcc 0
21 mol 186 unq 3 iso 1 dist 7.73733 7.59599 14.3544 6.91355 5.22317 11.6591 numMergedOcc 0
22 mol 186 unq 2 iso 0 dist 7.76429 7.73733 6.82334 6.0639 11.1768 7.03438 numMergedOcc 0
23 mol 186 unq 2 iso 1 dist 7.73733 7.76429 6.82334 6.0639 7.03438 11.1768 numMergedOcc 0
24 mol 186 unq 3 iso 0 dist 7.76429 7.73733 6.82334 6.91355 6.22624 5.22317 numMergedOcc 0
25 mol 186 unq 3 iso 1 dist 7.73733 7.76429 6.82334 6.91355 5.22317 6.22624 numMergedOcc 0
26 mol 241 unq 0 iso 0 dist 4.80928 9.92576 12.5546 6.90245 10.2076 10.1832 numMergedOcc 0
27 mol 241 unq 0 iso 1 dist 9.92576 4.80928 12.5546 6.90245 10.1832 10.2076 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 6.74917 6.31608 8.50848 7.91348 5.91451 4.52914 numMergedOcc 0
29 mol 252 unq 0 iso 1 dist 6.31608 6.74917 8.50848 7.91348 4.52914 5.91451 numMergedOcc 0
30 mol 264 unq 0 iso 0 dist 5.87353 7.87214 6.22759 9.07206 7.58851 13.6874 numMergedOcc 0
31 mol 264 unq 0 iso 1 dist 7.87214 5.87353 6.22759 9.07206 13.6874 7.58851 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 5.67503 8.35562 7.24033 8.49415 4.75685 11.5105 numMergedOcc 0
33 mol 265 unq 0 iso 1 dist 8.35562 5.67503 7.24033 8.49415 11.5105 4.75685 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 9.581 6.87362 4.71817 8.33977 4.627 5.07427 numMergedOcc 0
35 mol 277 unq 0 iso 1 dist 6.87362 9.581 4.71817 8.33977 5.07427 4.627 numMergedOcc 0
36 mol 277 unq 1 iso 0 dist 9.581 6.87362 4.71817 8.66941 8.52993 10.2752 numMergedOcc 0
37 mol 277 unq 1 iso 1 dist 6.87362 9.581 4.71817 8.66941 10.2752 8.52993 numMergedOcc 0
38 mol 281 unq 0 iso 0 dist 6.76971 9.68891 7.95907 9.27716 11.6589 17.1255 numMergedOcc 0
39 mol 281 unq 0 iso 1 dist 9.68891 6.76971 7.95907 9.27716 17.1255 11.6589 numMergedOcc 0
