0 mol 17 unq 0 iso 0 dist 9.84612 5.57445 9.78918 5.70783 7.82406 8.32923 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 9.61335 12.6609 7.96312 12.5648 7.60283 15.4799 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 9.61335 8.34493 7.67129 12.5648 7.60283 14.1714 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 5.86118 7.75281 6.07108 8.6915 9.0008 12.2982 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 5.86118 7.75281 6.07108 5.987 9.77887 8.55107 numMergedOcc 0
5 mol 67 unq 2 iso 0 dist 5.86118 5.72979 5.63802 8.6915 9.0008 13.1761 numMergedOcc 0
6 mol 67 unq 3 iso 0 dist 5.86118 5.72979 5.63802 5.987 9.77887 10.6102 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 6.37224 6.89318 9.6403 10.1316 9.07734 5.54803 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 7.27601 6.20949 4.86767 16.3901 9.83981 10.8755 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 7.27601 6.20949 4.86767 11.226 6.13559 5.27861 numMergedOcc 0
10 mol 114 unq 2 iso 0 dist 7.27601 6.20949 4.86767 7.41949 6.51395 4.8628 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 6.75179 7.32598 7.81731 10.6528 7.70313 5.80806 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 7.91633 12.9486 7.46919 15.2878 9.73927 6.43817 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 8.11909 13.33 7.36989 15.4689 9.66129 6.48058 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 9.70728 13.8498 9.31172 6.76195 6.64779 8.94838 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 8.70651 15.6085 8.27761 14.7996 7.17337 4.87212 numMergedOcc 0
16 mol 278 unq 0 iso 0 dist 8.31165 9.05496 8.30195 13.9147 7.48235 7.96744 numMergedOcc 0
17 mol 280 unq 0 iso 0 dist 9.44925 16.5309 7.42529 12.6974 5.80452 5.97333 numMergedOcc 0
18 mol 280 unq 1 iso 0 dist 9.44925 16.5309 7.42529 10.4861 7.82157 11.9982 numMergedOcc 0
19 mol 280 unq 2 iso 0 dist 9.44925 9.0925 9.38952 12.6974 5.80452 9.6632 numMergedOcc 0
20 mol 280 unq 3 iso 0 dist 9.44925 9.0925 9.38952 10.4861 7.82157 12.7222 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 9.95662 10.1082 4.87349 12.6659 6.61376 5.83318 numMergedOcc 0
