0 mol 16 unq 0 iso 0 dist 9.04834 5.36911 6.51133 5.37568 7.65889 5.94982 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.17898 5.36911 5.30082 5.37568 6.42835 5.94982 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.87895 7.06532 6.38336 5.42563 10.502 9.33304 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 5.87895 7.06532 6.38336 6.87351 8.87744 4.5711 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 5.87895 7.06532 6.38336 7.79018 7.27472 4.44526 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 9.57974 7.06532 6.51 5.42563 14.054 9.33304 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 9.57974 7.06532 6.51 6.87351 10.7404 4.5711 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 9.57974 7.06532 6.51 7.79018 9.11445 4.44526 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 5.36645 6.42242 8.82805 7.51675 9.17838 6.07052 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 5.79954 6.66506 5.11416 14.7163 12.2276 8.96616 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 5.79954 6.66506 5.11416 11.5216 9.73086 6.14542 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 9.89021 8.13535 14.3261 5.75925 14.0851 5.7684 numMergedOcc 0
12 mol 162 unq 0 iso 0 dist 9.42819 6.80226 10.1865 4.92282 7.45998 8.33407 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 6.01711 6.4751 11.5561 15.1472 19.4298 9.34834 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 6.01711 6.4751 11.5561 10.2839 13.5 5.74846 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 7.7292 8.82861 5.86489 5.99091 7.9133 9.48625 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 6.27396 8.82861 11.2903 5.99091 11.6352 9.48625 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 9.27989 6.91534 11.169 3.28983 6.73665 8.95511 numMergedOcc 0
18 mol 250 unq 0 iso 0 dist 8.21206 8.85979 4.34713 5.16962 6.59244 9.30531 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 7.46199 8.51736 9.5662 7.23383 13.4479 7.95464 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 6.47376 9.29922 12.6502 4.91802 6.35028 7.17958 numMergedOcc 0
