0 mol 26 unq 0 iso 0 dist 9.46609 4.29919 9.5053 9.18269 14.3325 5.497 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.27883 9.02863 6.15801 12.8212 7.52842 9.33027 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 7.27883 9.02863 6.15801 13.482 6.51847 8.2946 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 7.27883 12.015 9.63403 12.8212 7.52842 7.32707 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 7.27883 12.015 9.63403 13.482 6.51847 9.25346 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.15304 13.7632 8.86698 18.0747 10.9405 7.281 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 5.82501 3.88006 7.42482 12.8915 17.1979 9.83981 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 5.82501 3.88006 7.42482 9.63389 13.0539 6.13559 numMergedOcc 0
8 mol 114 unq 2 iso 0 dist 5.82501 3.88006 7.42482 6.96057 10.4498 6.51395 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 7.27702 4.34786 6.48674 11.222 5.57913 9.2235 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.19335 5.21047 7.82544 11.7419 9.24851 6.87262 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 8.5076 5.21047 6.18808 11.7419 6.19569 6.87262 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 5.76772 5.04427 8.03528 9.56248 10.2821 6.64779 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 9.12296 11.6344 5.89564 12.7142 5.95187 5.4997 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 9.12296 5.96987 5.60528 12.4545 6.05776 8.99988 numMergedOcc 0
15 mol 175 unq 2 iso 0 dist 9.12296 5.96987 5.60528 12.7142 5.95187 6.99693 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 7.47107 10.7677 5.68348 6.289 7.69247 8.52969 numMergedOcc 0
17 mol 237 unq 0 iso 0 dist 8.06435 3.96327 5.6703 12.3942 8.97735 9.27395 numMergedOcc 0
18 mol 237 unq 1 iso 0 dist 8.06435 9.75157 8.72819 12.3942 8.97735 7.55103 numMergedOcc 0
19 mol 237 unq 2 iso 0 dist 9.80232 11.5107 6.11495 15.177 5.5902 7.55103 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 5.66593 5.40441 7.44706 10.7436 8.16841 7.12785 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 5.66593 5.40441 7.44706 6.9453 6.03041 6.66959 numMergedOcc 0
