0 mol 96 unq 0 iso 0 dist 7.57442 9.25941 5.68957 6.19867 10.1389 13.3443 numMergedOcc 0
1 mol 96 unq 1 iso 0 dist 8.73938 9.25941 13.3291 6.19867 3.94275 13.3443 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 8.21127 8.73544 9.83127 5.11612 6.75472 6.37222 numMergedOcc 0
3 mol 115 unq 1 iso 0 dist 7.99121 8.93793 9.79211 5.22628 6.59772 6.51536 numMergedOcc 0
4 mol 115 unq 2 iso 0 dist 6.30982 8.93793 5.02086 5.22628 4.86477 6.51536 numMergedOcc 0
5 mol 115 unq 3 iso 0 dist 6.12404 8.93793 4.8448 5.22628 5.24961 6.51536 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 5.70772 9.89646 14.7037 9.23551 10.5583 10.2089 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 8.30966 9.07154 15.7941 9.37459 14.6591 14.5814 numMergedOcc 0
8 mol 152 unq 1 iso 0 dist 8.30966 9.07154 15.7941 9.0847 12.2051 16.8649 numMergedOcc 0
9 mol 152 unq 2 iso 0 dist 8.30966 9.07154 15.7941 6.00061 9.67332 12.692 numMergedOcc 0
10 mol 152 unq 3 iso 0 dist 8.30966 9.07154 15.7941 8.33302 6.18791 15.1967 numMergedOcc 0
11 mol 183 unq 0 iso 0 dist 8.53483 6.23903 3.94874 9.09322 7.79648 8.16006 numMergedOcc 0
12 mol 236 unq 0 iso 0 dist 4.43243 7.61854 4.60599 5.99137 4.15973 7.45579 numMergedOcc 0
13 mol 236 unq 1 iso 0 dist 5.92025 7.61854 4.24722 5.99137 9.01197 7.45579 numMergedOcc 0
14 mol 236 unq 2 iso 0 dist 9.04819 7.61854 13.0221 5.99137 14.6016 7.45579 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 7.79013 5.42605 9.69107 8.18588 7.20238 7.3737 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.62592 7.87577 5.66907 5.31858 7.52881 5.90131 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 8.62592 7.87577 5.66907 5.71851 12.3042 9.68064 numMergedOcc 0
18 mol 258 unq 2 iso 0 dist 8.62592 5.86702 9.6053 5.31858 7.52881 4.51422 numMergedOcc 0
19 mol 258 unq 3 iso 0 dist 8.62592 5.86702 9.6053 5.71851 12.3042 4.99997 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 9.83854 8.57593 10.531 7.45719 5.58514 6.86214 numMergedOcc 0
21 mol 267 unq 0 iso 0 dist 9.60447 9.70756 11.2997 6.19138 10.2663 5.09878 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 5.76223 6.51561 10.5329 8.44108 9.68222 4.92497 numMergedOcc 0
