0 mol 1 unq 0 iso 0 dist 6.04659 9.40282 9.02078 7.48521 8.7275 6.86701 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.32818 8.36524 13.091 10.0272 18.054 7.18022 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.32818 8.36524 13.091 6.65242 15.0725 6.24711 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.29997 8.27307 5.08122 5.29207 9.18161 5.99857 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 8.29997 6.92837 9.69519 5.29207 9.18161 6.9362 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 8.79693 8.56124 6.529 4.56271 9.55954 6.53308 numMergedOcc 0
6 mol 89 unq 1 iso 0 dist 8.79693 8.56124 6.529 4.20641 7.06277 7.47974 numMergedOcc 0
7 mol 89 unq 2 iso 0 dist 9.1584 8.85873 10.5017 10.8883 12.6267 5.51831 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 8.36066 7.34207 4.41003 13.1744 11.063 8.33439 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 8.30192 9.52413 11.3614 6.21482 8.28282 7.2793 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 8.30192 9.52413 11.3614 6.47581 10.9209 9.51091 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 8.30192 9.52413 11.3614 16.7739 17.6973 7.85184 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 9.63592 8.57514 9.7129 12.7286 15.6336 6.49765 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 5.64116 6.11505 9.7129 12.0822 15.6336 6.49765 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 6.25383 9.79816 5.09263 15.4347 12.0371 7.33709 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 7.41211 8.97461 5.37535 17.3901 12.9409 9.08509 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 7.41211 8.89487 4.14233 12.7433 12.7034 9.06592 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 9.581 8.33977 4.627 5.04761 10.8958 9.57499 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 9.581 8.66941 8.52993 5.04761 10.8958 5.46926 numMergedOcc 0
19 mol 277 unq 2 iso 0 dist 9.581 8.66941 8.52993 8.42957 12.7642 5.13913 numMergedOcc 0
20 mol 277 unq 3 iso 0 dist 6.87362 8.33977 5.07427 5.04761 10.2547 9.57499 numMergedOcc 0
21 mol 277 unq 4 iso 0 dist 6.87362 8.66941 10.2752 5.04761 10.2547 5.46926 numMergedOcc 0
22 mol 277 unq 5 iso 0 dist 6.87362 8.66941 10.2752 8.42957 13.0612 5.13913 numMergedOcc 0
