0 mol 26 unq 0 iso 0 dist 6.32127 7.23962 5.497 11.5211 8.35396 13.1887 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.0478 5.59128 6.30987 7.50891 6.32568 10.6854 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 8.22984 12.1174 7.09065 11.3386 9.18792 4.07616 numMergedOcc 0
3 mol 100 unq 1 iso 0 dist 6.6157 7.39527 7.09065 6.5384 9.18792 4.07616 numMergedOcc 0
4 mol 100 unq 2 iso 0 dist 7.37771 5.22124 7.09065 6.26599 9.18792 4.07616 numMergedOcc 0
5 mol 105 unq 0 iso 0 dist 8.60172 6.21149 5.03173 5.75013 6.21457 7.11735 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 7.85045 4.98814 7.35992 11.8273 9.28045 7.09209 numMergedOcc 0
7 mol 116 unq 1 iso 0 dist 7.85045 9.53721 6.49383 11.8273 9.28045 5.82334 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 5.80081 9.31967 4.25566 12.9921 7.90709 4.80602 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 5.80081 10.5556 6.63171 12.9921 7.90709 11.039 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 5.80081 10.0306 7.67273 12.9921 7.90709 11.4956 numMergedOcc 0
11 mol 141 unq 3 iso 0 dist 9.45931 14.0561 7.31037 13.3971 9.03842 4.80602 numMergedOcc 0
12 mol 141 unq 4 iso 0 dist 6.49728 9.31967 7.31037 12.9921 9.03842 4.80602 numMergedOcc 0
13 mol 153 unq 0 iso 0 dist 5.87327 5.6219 9.75856 4.06371 9.20554 5.95465 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 7.93807 6.77802 7.80054 13.1927 9.32545 7.23043 numMergedOcc 0
15 mol 254 unq 0 iso 0 dist 9.00866 13.4991 8.94909 13.8821 9.43169 10.6175 numMergedOcc 0
16 mol 254 unq 1 iso 0 dist 9.00866 13.4991 8.94909 10.4797 5.9438 4.06684 numMergedOcc 0
17 mol 272 unq 0 iso 0 dist 9.17894 11.7057 9.24417 7.50422 6.05239 4.86323 numMergedOcc 0
