0 mol 1 unq 0 iso 0 dist 6.04659 9.40282 9.02078 7.48521 8.7275 6.86701 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 6.04659 9.35554 5.27206 7.48521 8.7275 10.8992 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.87499 7.15015 6.58841 8.43217 9.03928 12.3093 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 8.87499 3.68549 7.19972 8.43217 9.03928 10.1227 numMergedOcc 0
4 mol 30 unq 2 iso 0 dist 8.2359 7.15015 11.9061 10.0107 9.83449 14.1018 numMergedOcc 0
5 mol 30 unq 3 iso 0 dist 8.2359 3.68549 6.67111 10.0107 9.83449 10.9602 numMergedOcc 0
6 mol 33 unq 0 iso 0 dist 9.90906 8.87925 6.08005 6.06756 8.66089 11.3207 numMergedOcc 0
7 mol 33 unq 1 iso 0 dist 9.90906 8.87925 6.08005 10.8168 6.9181 12.2097 numMergedOcc 0
8 mol 33 unq 2 iso 0 dist 9.90906 8.87925 6.08005 14.2843 5.84349 11.8372 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 8.29997 8.27307 5.08122 5.29207 9.18161 5.99857 numMergedOcc 0
10 mol 69 unq 1 iso 0 dist 8.29997 6.92837 9.69519 5.29207 9.18161 6.9362 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 8.54678 9.9795 12.1235 4.78636 6.24296 13.3997 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 8.54678 9.9795 12.1235 7.24335 6.83218 14.6517 numMergedOcc 0
13 mol 89 unq 0 iso 0 dist 8.79693 8.56124 6.529 4.56271 9.55954 6.53308 numMergedOcc 0
14 mol 89 unq 1 iso 0 dist 8.79693 8.56124 6.529 4.20641 7.06277 7.47974 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 8.51999 6.28961 8.10912 6.37039 8.66311 11.4792 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.30192 9.52413 11.3614 6.21482 8.28282 7.2793 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 7.76429 6.0639 11.1768 11.8416 7.81696 16.7921 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 7.76429 6.91355 6.22624 11.8416 7.81696 13.742 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 6.25383 9.79816 5.09263 6.27279 5.4767 9.24601 numMergedOcc 0
20 mol 241 unq 0 iso 0 dist 4.80928 6.90245 10.2076 8.02003 6.2767 14.8735 numMergedOcc 0
