0 mol 54 unq 0 iso 0 dist 6.6367 7.72003 9.41463 6.72872 6.91496 7.16132 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 9.63946 11.2137 9.41463 14.4828 6.91496 7.16132 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.32519 7.751 9.19512 12.0244 14.3608 9.69044 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 8.32519 7.751 9.19512 8.27156 5.9487 6.9103 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.51631 4.60844 8.19932 5.9651 10.9724 9.8703 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 7.51631 4.60844 8.19932 10.8777 10.6721 7.39665 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 5.38363 5.29207 9.08745 8.27307 8.67853 5.99857 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 5.38363 5.29207 9.08745 6.92837 10.8149 6.9362 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 8.83567 10.864 5.92828 12.6172 6.35793 9.02706 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 8.83567 10.864 5.92828 7.85583 4.69658 8.47988 numMergedOcc 0
10 mol 112 unq 2 iso 0 dist 8.83567 9.95307 9.1247 12.6172 6.35793 9.39168 numMergedOcc 0
11 mol 112 unq 3 iso 0 dist 8.83567 9.95307 9.1247 7.85583 4.69658 8.0427 numMergedOcc 0
12 mol 112 unq 4 iso 0 dist 6.79584 9.50897 5.92828 12.679 6.35793 9.02706 numMergedOcc 0
13 mol 112 unq 5 iso 0 dist 6.79584 9.50897 5.92828 8.86938 4.69658 8.47988 numMergedOcc 0
14 mol 112 unq 6 iso 0 dist 6.79584 11.9673 9.1247 12.679 6.35793 9.39168 numMergedOcc 0
15 mol 112 unq 7 iso 0 dist 6.79584 11.9673 9.1247 8.86938 4.69658 8.0427 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 8.78269 7.98077 8.65807 10.1448 12.5818 8.80934 numMergedOcc 0
17 mol 116 unq 0 iso 0 dist 8.83566 12.2757 9.87354 11.5792 5.49724 8.28795 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.68246 6.6473 6.76852 14.7121 14.9489 9.10524 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 8.68246 6.6473 6.76852 12.3409 9.39407 9.00918 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 8.68246 10.3627 4.94473 14.7144 7.89899 5.35237 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 8.68246 10.3627 4.94473 12.3409 9.39407 7.99477 numMergedOcc 0
22 mol 142 unq 0 iso 0 dist 6.4119 9.85239 5.42679 4.93681 4.05822 7.81207 numMergedOcc 0
23 mol 142 unq 1 iso 0 dist 6.4119 9.85239 5.42679 9.86383 4.7832 6.14151 numMergedOcc 0
24 mol 142 unq 2 iso 0 dist 8.40522 5.01365 5.42679 11.9068 4.05822 7.81207 numMergedOcc 0
25 mol 142 unq 3 iso 0 dist 8.40522 5.01365 5.42679 9.11832 4.7832 6.14151 numMergedOcc 0
26 mol 162 unq 0 iso 0 dist 8.7019 4.6728 8.91326 5.21803 4.68369 7.37333 numMergedOcc 0
27 mol 162 unq 1 iso 0 dist 8.7019 7.06734 8.33649 5.21803 4.68369 7.45998 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 8.86574 6.21482 9.34653 9.52413 4.04122 7.2793 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 8.81424 5.30128 8.74463 11.4745 14.2198 8.1945 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 8.81424 5.30128 8.74463 9.93754 9.72811 6.50998 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 6.26593 10.6477 9.87744 14.4139 10.1415 9.19754 numMergedOcc 0
32 mol 264 unq 1 iso 0 dist 6.26593 10.6477 9.87744 15.885 11.5587 8.29262 numMergedOcc 0
33 mol 285 unq 0 iso 0 dist 5.93983 7.67857 7.73438 6.44657 8.33646 7.80862 numMergedOcc 0
