0 mol 30 unq 0 iso 0 dist 7.2159 8.98564 10.4174 6.57228 9.77521 11.1249 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 7.2159 7.51725 5.53262 6.57228 9.77521 11.4464 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.85573 5.84744 9.37301 10.1746 9.53901 13.3922 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.70925 9.762 5.17759 4.71695 9.94312 13.885 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 5.57712 9.43496 12.6233 5.99356 7.4658 14.8183 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 6.30128 4.77996 5.96497 10.8208 9.17909 10.9702 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 6.30128 4.77996 5.96497 4.59061 9.37708 7.77418 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.39253 5.90003 4.80926 7.49885 7.26463 6.88175 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 9.49104 9.13697 4.56331 12.0027 9.21999 6.41759 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.71223 9.18289 5.32701 13.4102 8.09373 8.41456 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 9.71223 6.52441 10.2318 13.4102 8.09373 15.9033 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 9.71223 6.26168 9.33116 13.4102 8.09373 16.1419 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 7.252 7.93715 12.8252 9.99333 7.72242 15.1315 numMergedOcc 0
13 mol 219 unq 0 iso 0 dist 9.52151 9.74779 5.05436 6.28221 7.98941 8.72479 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 8.68803 7.96523 3.80345 4.53635 8.01565 6.0567 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 7.97113 4.95855 10.2743 9.69102 9.2772 13.0809 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 7.97113 7.72489 11.46 9.69102 9.2772 16.0832 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 8.26851 4.97796 5.9397 8.77987 7.24089 10.4698 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 8.26851 4.97796 5.9397 10.518 9.29005 11.135 numMergedOcc 0
19 mol 274 unq 2 iso 0 dist 8.14634 4.97796 4.89003 10.518 8.16746 11.135 numMergedOcc 0
