0 mol 69 unq 0 iso 0 dist 8.44753 8.09271 7.3232 6.88345 3.87167 8.41025 numMergedOcc 0
1 mol 86 unq 0 iso 0 dist 8.4254 8.8236 11.1987 7.90563 10.6558 9.18511 numMergedOcc 0
2 mol 87 unq 0 iso 0 dist 8.70472 4.58684 9.6714 9.93705 16.4033 9.42123 numMergedOcc 0
3 mol 87 unq 1 iso 0 dist 8.70472 4.58684 9.6714 8.1075 13.3816 9.67406 numMergedOcc 0
4 mol 87 unq 2 iso 0 dist 8.70472 6.90348 8.07709 9.93705 16.4033 9.18848 numMergedOcc 0
5 mol 126 unq 0 iso 0 dist 7.80819 9.7504 11.2933 4.30864 7.25133 9.55276 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 5.86949 8.91834 11.7686 9.7362 15.2976 8.44627 numMergedOcc 0
7 mol 150 unq 0 iso 0 dist 5.84971 8.84061 11.6581 9.86164 15.4192 8.60168 numMergedOcc 0
8 mol 184 unq 0 iso 0 dist 9.0757 7.73442 15.8237 14.7131 23.2384 9.63728 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 5.2376 9.92349 7.38726 14.752 14.4096 7.81237 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 5.2376 9.70779 10.0087 11.4045 15.282 9.33769 numMergedOcc 0
11 mol 220 unq 2 iso 0 dist 5.2376 9.70779 10.0087 7.21475 10.4633 6.25503 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 7.6174 9.82101 12.0828 16.4938 19.0627 9.96919 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 7.19924 6.55222 6.18958 12.3037 7.21466 8.39251 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 7.19924 6.55222 6.18958 9.3633 14.2228 8.99865 numMergedOcc 0
15 mol 247 unq 0 iso 0 dist 6.56182 8.0367 10.3845 13.53 16.691 6.32156 numMergedOcc 0
16 mol 247 unq 1 iso 0 dist 5.32075 8.0367 6.75612 13.53 10.0074 6.32156 numMergedOcc 0
17 mol 254 unq 0 iso 0 dist 9.73281 9.61808 5.64395 4.48859 10.7657 9.22427 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 9.94532 7.68243 5.7487 5.75427 8.13696 8.28805 numMergedOcc 0
