0 mol 22 unq 0 iso 0 dist 7.74523 8.50997 8.90696 8.28901 5.70422 4.75307 numMergedOcc 0
1 mol 22 unq 1 iso 0 dist 6.90519 8.50997 5.2384 8.28901 4.69565 4.75307 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 4.10339 7.23823 9.64155 7.34019 9.45335 5.25025 numMergedOcc 0
3 mol 36 unq 1 iso 0 dist 4.10339 7.23823 9.64155 8.43828 5.98566 11.6749 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 6.30589 9.50568 11.5212 7.06199 7.29621 4.38082 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 7.14979 9.0481 6.50799 9.84668 7.43519 4.22861 numMergedOcc 0
6 mol 86 unq 0 iso 0 dist 8.4254 8.8236 11.1987 5.49793 5.19926 7.89966 numMergedOcc 0
7 mol 126 unq 0 iso 0 dist 7.80819 9.7504 11.2933 9.2806 4.57807 8.91034 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 8.95717 8.98949 10.4812 9.64856 7.14559 9.5945 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 8.95717 8.98949 10.4812 6.38977 11.3296 7.47571 numMergedOcc 0
10 mol 131 unq 2 iso 0 dist 8.95717 8.98949 10.4812 9.69757 15.665 12.885 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 7.14447 8.58873 8.91031 9.0339 11.6877 5.28089 numMergedOcc 0
12 mol 132 unq 1 iso 0 dist 7.14447 8.58873 8.91031 8.48641 11.8999 4.50065 numMergedOcc 0
13 mol 132 unq 2 iso 0 dist 7.14447 8.58873 8.91031 6.23573 5.77316 10.672 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 5.86949 8.91834 11.7686 8.62898 5.34721 11.855 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 5.84971 8.84061 11.6581 8.6102 5.38822 11.7897 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 6.45502 7.75233 8.35641 8.1504 5.16728 4.835 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 6.5782 8.68179 8.17747 6.64164 6.43506 7.9092 numMergedOcc 0
18 mol 167 unq 1 iso 0 dist 6.5782 5.32056 4.49322 6.64164 6.43506 6.45463 numMergedOcc 0
19 mol 167 unq 2 iso 0 dist 6.5782 9.52659 5.79931 6.64164 6.43506 6.67469 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.00773 6.9659 4.91848 9.82174 9.4693 5.48771 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 7.00773 6.9659 4.91848 9.2521 13.931 14.301 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 7.00773 6.9659 4.91848 8.51359 15.2654 15.0149 numMergedOcc 0
23 mol 241 unq 0 iso 0 dist 8.89382 8.73768 9.03227 8.98617 4.68085 4.86885 numMergedOcc 0
24 mol 241 unq 1 iso 0 dist 8.89382 8.73768 9.03227 6.74552 10.8729 5.89144 numMergedOcc 0
25 mol 276 unq 0 iso 0 dist 8.0652 8.63212 14.6731 7.11272 11.0506 11.0537 numMergedOcc 0
26 mol 276 unq 1 iso 0 dist 8.0652 8.63212 14.6731 6.24808 5.88008 9.50779 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 9.71938 8.12646 4.27883 8.27977 9.19671 8.00087 numMergedOcc 0
28 mol 293 unq 0 iso 0 dist 6.02106 8.84911 5.48105 8.90008 8.15525 12.7881 numMergedOcc 0
29 mol 293 unq 1 iso 0 dist 8.27274 8.84911 4.88851 8.90008 9.35524 12.7881 numMergedOcc 0
