0 mol 85 unq 0 iso 0 dist 9.27814 8.15861 16.3912 7.18472 7.67463 12.1286 numMergedOcc 0
1 mol 111 unq 0 iso 0 dist 6.33923 9.9801 6.13173 9.12385 6.34004 11.3642 numMergedOcc 0
2 mol 111 unq 1 iso 0 dist 5.53271 8.51084 8.72808 6.02783 7.24101 13.9368 numMergedOcc 0
3 mol 116 unq 0 iso 0 dist 8.55413 7.65919 9.76537 13.5312 7.39112 15.0177 numMergedOcc 0
4 mol 120 unq 0 iso 0 dist 5.39792 8.44206 5.26524 6.36542 9.8098 14.0063 numMergedOcc 0
5 mol 120 unq 1 iso 0 dist 7.00542 9.78884 5.26524 5.1941 9.8098 14.0063 numMergedOcc 0
6 mol 176 unq 0 iso 0 dist 8.00223 9.60695 4.75543 5.73429 5.58647 8.5733 numMergedOcc 0
7 mol 176 unq 1 iso 0 dist 9.60695 8.00223 4.75543 5.73429 8.5733 5.58647 numMergedOcc 0
8 mol 184 unq 0 iso 0 dist 7.42696 5.86468 11.7423 15.1198 9.39795 19.3717 numMergedOcc 0
9 mol 184 unq 1 iso 0 dist 7.42696 5.86468 11.7423 6.47176 7.33424 11.9894 numMergedOcc 0
10 mol 184 unq 2 iso 0 dist 7.42696 5.86468 11.7423 7.88594 8.04472 10.5473 numMergedOcc 0
11 mol 184 unq 3 iso 0 dist 7.42696 8.73302 9.91264 15.1198 9.39795 14.1533 numMergedOcc 0
12 mol 184 unq 4 iso 0 dist 7.42696 8.73302 9.91264 6.47176 7.33424 14.1611 numMergedOcc 0
13 mol 184 unq 5 iso 0 dist 7.42696 8.73302 9.91264 7.88594 8.04472 5.62851 numMergedOcc 0
14 mol 184 unq 6 iso 0 dist 5.86468 7.42696 11.7423 3.76904 6.03495 11.0723 numMergedOcc 0
15 mol 184 unq 7 iso 0 dist 5.86468 8.73302 8.04915 3.76904 6.03495 10.8523 numMergedOcc 0
16 mol 184 unq 8 iso 0 dist 8.73302 7.42696 9.91264 11.4479 8.93083 14.4772 numMergedOcc 0
17 mol 184 unq 9 iso 0 dist 8.73302 7.42696 9.91264 7.88594 5.62851 8.04472 numMergedOcc 0
18 mol 184 unq 10 iso 0 dist 8.73302 5.86468 8.04915 11.4479 8.93083 12.3174 numMergedOcc 0
19 mol 184 unq 11 iso 0 dist 8.73302 5.86468 8.04915 7.88594 5.62851 10.5473 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 4.42095 4.55528 3.78714 10.9163 8.93352 9.72328 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 4.63898 6.88386 3.78714 6.28634 8.93352 9.72328 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 8.52735 5.65735 8.44761 9.26118 9.41157 13.7464 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 5.65735 8.52735 8.44761 6.77967 9.57433 12.3903 numMergedOcc 0
24 mol 254 unq 0 iso 0 dist 7.94753 9.99046 2.67738 7.97424 6.56151 8.3417 numMergedOcc 0
25 mol 254 unq 1 iso 0 dist 7.94753 9.99046 2.67738 4.18858 6.58752 9.13154 numMergedOcc 0
26 mol 254 unq 2 iso 0 dist 9.99046 7.94753 2.67738 7.97424 8.3417 6.56151 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 5.77565 6.32853 5.57024 10.359 8.87546 13.5735 numMergedOcc 0
