0 mol 37 unq 0 iso 0 dist 8.58982 11.5018 9.70008 10.0166 6.10776 6.84257 numMergedOcc 0
1 mol 37 unq 1 iso 0 dist 8.58982 11.5018 9.70008 14.9588 7.39428 9.21102 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 6.78356 5.81148 9.01516 7.43409 8.80788 8.0757 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 7.77954 8.1892 9.47519 16.2546 13.1967 9.25638 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 7.77954 8.1892 9.47519 15.268 12.4017 8.01856 numMergedOcc 0
5 mol 67 unq 2 iso 0 dist 6.0478 6.22963 9.47519 10.7873 13.1967 9.25638 numMergedOcc 0
6 mol 67 unq 3 iso 0 dist 6.0478 6.22963 9.47519 8.27009 12.4017 8.01856 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.91206 14.1204 8.0534 11.8571 9.94048 5.68894 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.91206 14.1204 8.0534 7.45777 6.88106 7.32265 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 8.67513 15.8898 8.0534 17.8281 9.94048 5.68894 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.67513 15.8898 8.0534 14.4772 6.88106 7.32265 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 5.14178 8.57218 8.89951 12.1984 14.9715 8.44695 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 7.73842 7.22809 6.07991 9.45174 11.4872 8.75093 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 7.68174 13.0938 9.31118 15.9125 8.49668 9.63161 numMergedOcc 0
14 mol 128 unq 0 iso 0 dist 9.31019 6.95591 9.40567 8.64054 4.62936 6.93718 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 4.0037 12.6081 9.00002 10.8675 7.97968 7.57272 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 6.76315 4.92164 6.86657 8.97652 5.9727 9.84649 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 8.23919 10.8844 9.27651 16.9989 10.7276 9.11823 numMergedOcc 0
18 mol 261 unq 0 iso 0 dist 6.40153 6.40309 7.25321 9.25991 9.54713 8.25759 numMergedOcc 0
19 mol 261 unq 1 iso 0 dist 6.40153 6.40309 7.25321 4.85199 5.48835 6.99444 numMergedOcc 0
20 mol 261 unq 2 iso 0 dist 6.20912 5.91745 7.25321 12.7905 9.54713 8.25759 numMergedOcc 0
21 mol 261 unq 3 iso 0 dist 6.20912 5.91745 7.25321 9.13604 5.48835 6.99444 numMergedOcc 0
22 mol 281 unq 0 iso 0 dist 7.58292 5.50235 8.92291 4.75349 3.87789 6.47753 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 6.91282 6.38947 7.44868 10.1355 9.69725 8.30313 numMergedOcc 0
24 mol 282 unq 1 iso 0 dist 6.91282 6.38947 7.44868 5.00258 5.63803 6.51248 numMergedOcc 0
25 mol 282 unq 2 iso 0 dist 5.51953 5.98603 7.44868 12.5071 9.69725 8.30313 numMergedOcc 0
26 mol 282 unq 3 iso 0 dist 5.51953 5.98603 7.44868 8.22117 5.63803 6.51248 numMergedOcc 0
