0 mol 24 unq 0 iso 0 dist 8.88399 13.3625 8.3964 3.94196 5.65754 9.63925 10.8697 5.61248 5.80953 7.7447 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 6.48296 6.76395 8.37816 6.96814 4.07334 5.48483 15.0246 10.9062 14.1405 9.59073 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 8.17492 9.35493 5.55574 6.63195 6.89855 7.1742 9.6401 5.74753 11.0636 8.78414 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.41313 6.74131 8.3768 8.82709 4.8983 4.39723 12.846 5.75925 8.34295 4.27766 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.41313 10.2809 8.13535 8.82709 4.8983 4.1846 12.846 5.75925 5.7684 4.27766 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.27877 4.32784 9.18097 3.81285 7.51319 5.22259 6.24296 8.08787 5.05893 4.29937 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.27877 4.32784 9.18097 3.81285 7.51319 5.22259 6.83218 10.4844 5.71866 3.65628 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 6.27877 4.32784 9.18097 3.81285 7.51319 5.22259 10.9154 16.4231 11.3323 9.77774 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 6.27877 4.32784 9.18097 6.17121 8.49887 7.66499 6.24296 8.08787 5.05893 5.37869 numMergedOcc 0
9 mol 85 unq 4 iso 0 dist 6.27877 4.32784 9.18097 6.17121 8.49887 7.66499 6.83218 10.4844 5.71866 4.05415 numMergedOcc 0
10 mol 85 unq 5 iso 0 dist 6.27877 4.32784 9.18097 6.17121 8.49887 7.66499 10.9154 16.4231 11.3323 9.97944 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 8.01351 5.75219 6.93893 9.46631 8.91998 12.8723 6.64714 5.09341 8.77355 7.71625 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 5.68406 4.46354 8.46376 6.46148 8.12558 10.3222 5.24228 4.62155 7.58337 5.95801 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 9.46329 6.74216 8.46376 12.4824 8.12558 10.3222 11.3851 4.62155 7.58337 5.95801 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 8.6903 6.41051 8.07946 5.94889 9.27714 11.5349 11.8779 11.3047 16.4693 6.77583 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 7.30459 7.68984 9.23676 8.62729 8.77524 3.85186 8.61215 5.9943 9.94968 7.33774 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 8.73423 16.263 9.23676 16.3802 8.77524 3.85186 11.8562 5.9943 9.94968 7.33774 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 8.85493 5.86715 7.60896 14.3597 9.09279 10.3958 21.9934 15.5357 16.842 9.81261 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 8.60635 6.25614 8.67838 6.85091 9.29687 4.30125 14.707 14.3247 8.6233 9.21469 numMergedOcc 0
