0 mol 24 unq 0 iso 0 dist 5.85737 9.21068 9.47657 6.88453 8.0319 11.8387 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 7.44828 7.03174 5.34698 5.7655 9.79966 11.4647 numMergedOcc 0
2 mol 33 unq 1 iso 0 dist 7.44828 7.03174 5.34698 5.62472 5.52992 5.9844 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.84944 6.65308 6.77798 7.95485 9.21978 12.0903 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.84944 6.65308 6.77798 14.9082 8.03754 14.6788 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 6.49343 7.87739 11.0084 7.01367 5.41831 14.263 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.90896 7.55565 6.51072 18.2252 9.41049 14.7765 numMergedOcc 0
7 mol 105 unq 0 iso 0 dist 6.11833 8.85561 8.22851 11.5147 9.94398 17.945 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 6.90966 8.81935 3.75089 6.29219 9.64597 9.69962 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 5.83719 7.34368 4.49551 4.87509 6.5087 6.54744 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.65031 6.83034 6.41178 14.069 8.41774 14.0279 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 9.96635 7.41387 4.1393 16.6371 9.99005 12.6249 numMergedOcc 0
12 mol 198 unq 0 iso 0 dist 7.86075 8.95625 4.13224 5.27534 9.19061 11.4667 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 6.52136 8.33861 4.03178 5.91558 8.45825 8.00214 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 5.25149 6.57898 5.79012 6.19375 5.39218 4.96654 numMergedOcc 0
15 mol 233 unq 0 iso 0 dist 6.9103 9.11467 3.8054 10.2837 7.41931 8.64331 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 4.64178 7.43688 4.14613 5.94295 9.35819 13.0417 numMergedOcc 0
17 mol 243 unq 1 iso 0 dist 9.16988 5.50716 4.14613 16.7683 9.35819 13.0417 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 6.33567 5.75291 5.36508 6.51074 7.69358 10.6416 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 6.33567 5.75291 5.36508 5.57797 7.57187 10.2397 numMergedOcc 0
20 mol 258 unq 2 iso 0 dist 6.33567 7.17822 8.97107 6.51074 7.69358 6.78929 numMergedOcc 0
21 mol 258 unq 3 iso 0 dist 6.33567 7.17822 8.97107 5.57797 7.57187 9.79245 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 7.52632 7.29987 6.85532 6.35501 6.45326 11.159 numMergedOcc 0
