0 mol 24 unq 0 iso 0 dist 7.95042 15.4638 7.7447 13.0257 9.57743 9.65174 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 7.16132 6.91496 9.41463 10.8919 10.0644 5.85153 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 9.69044 14.3608 9.19512 15.0857 6.35287 9.71949 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 6.9103 5.9487 9.19512 10.9202 6.35287 9.71949 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.3733 4.04753 5.88409 13.5496 9.4319 9.87982 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 5.99857 8.67853 9.08745 9.77664 7.8851 7.40437 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 6.9362 10.8149 9.08745 13.5326 7.8851 7.40437 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 9.22631 9.12539 8.30921 13.3839 11.0802 9.30843 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 9.22631 9.12539 8.30921 10.5202 5.33894 6.25522 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 9.22631 4.25258 7.39732 10.5202 5.33894 7.87145 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 9.22631 3.5172 9.67744 10.5202 5.33894 9.30914 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.02706 6.35793 5.92828 6.78038 8.90959 9.34689 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 8.47988 4.69658 5.92828 6.47042 8.90959 9.34689 numMergedOcc 0
13 mol 112 unq 2 iso 0 dist 9.39168 6.35793 9.1247 6.78038 4.4941 9.34689 numMergedOcc 0
14 mol 112 unq 3 iso 0 dist 8.0427 4.69658 9.1247 6.47042 4.4941 9.34689 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 8.80934 13.0914 4.30875 12.2216 7.48733 8.28325 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 5.40637 6.75249 6.60366 8.41611 6.16103 7.22 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 6.59889 10.6994 8.60651 14.7746 10.6183 5.42715 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 6.59889 10.6994 8.60651 9.77552 4.71678 7.34557 numMergedOcc 0
19 mol 152 unq 2 iso 0 dist 6.70693 4.68615 8.60651 9.39331 10.6183 5.42715 numMergedOcc 0
20 mol 152 unq 3 iso 0 dist 6.70693 4.68615 8.60651 8.28642 4.71678 7.34557 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.90571 9.11577 7.36794 17.1976 12.0756 9.12783 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 6.61112 11.7398 7.36794 18.4534 12.0756 9.12783 numMergedOcc 0
23 mol 186 unq 2 iso 0 dist 7.2793 4.04122 9.34653 11.7123 12.8784 8.46395 numMergedOcc 0
24 mol 186 unq 3 iso 0 dist 7.2793 4.04122 9.34653 6.258 8.88593 6.08596 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 7.15764 9.93981 9.81261 6.86945 4.34126 8.38453 numMergedOcc 0
26 mol 255 unq 0 iso 0 dist 6.87333 6.08042 8.7958 9.03186 5.45387 8.56885 numMergedOcc 0
27 mol 255 unq 1 iso 0 dist 9.86207 13.4617 8.7958 11.5481 5.45387 8.56885 numMergedOcc 0
28 mol 257 unq 0 iso 0 dist 8.83833 10.9989 7.80473 12.0311 3.7801 7.05314 numMergedOcc 0
