0 mol 24 unq 0 iso 0 dist 8.10063 6.50899 8.9776 6.77987 6.75063 8.31631 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.88399 3.94196 5.65754 10.8697 5.61248 7.7447 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 5.31968 3.82411 7.89306 5.84349 6.23577 4.64187 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 5.31968 4.28598 8.36697 5.84349 6.23577 7.95437 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 6.48296 6.96814 4.07334 15.0246 10.9062 9.59073 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 8.17492 6.63195 6.89855 9.6401 5.74753 8.78414 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 7.10403 11.1855 7.85738 8.53833 5.82517 8.78414 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 7.67696 10.8259 7.17133 17.7549 15.9536 9.08745 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.41313 8.82709 4.8983 12.846 5.75925 4.27766 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 6.27877 3.81285 7.51319 6.24296 8.08787 4.29937 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 6.27877 3.81285 7.51319 6.83218 10.4844 3.65628 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 6.27877 3.81285 7.51319 10.9154 16.4231 9.77774 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 6.27877 6.17121 8.49887 6.24296 8.08787 5.37869 numMergedOcc 0
13 mol 85 unq 4 iso 0 dist 6.27877 6.17121 8.49887 6.83218 10.4844 4.05415 numMergedOcc 0
14 mol 85 unq 5 iso 0 dist 6.27877 6.17121 8.49887 10.9154 16.4231 9.97944 numMergedOcc 0
15 mol 91 unq 0 iso 0 dist 8.01351 9.46631 8.91998 6.64714 5.09341 7.71625 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 5.68406 6.46148 8.12558 5.24228 4.62155 5.95801 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 9.46329 12.4824 8.12558 11.3851 4.62155 5.95801 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 9.01762 9.29034 9.99012 14.1772 12.1494 6.60366 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 8.6903 5.94889 9.27714 11.8779 11.3047 6.77583 numMergedOcc 0
20 mol 176 unq 0 iso 0 dist 9.24242 10.5042 8.8756 18.824 11.9346 9.9109 numMergedOcc 0
21 mol 176 unq 1 iso 0 dist 6.74185 8.44347 8.8756 11.4224 11.9346 9.9109 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 8.8078 15.2302 9.26192 17.8453 9.9686 7.98864 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 7.30459 8.62729 8.77524 8.61215 5.9943 7.33774 numMergedOcc 0
24 mol 204 unq 2 iso 0 dist 8.73423 16.3802 8.77524 11.8562 5.9943 7.33774 numMergedOcc 0
25 mol 204 unq 3 iso 0 dist 6.97502 3.88406 9.26192 9.93698 9.9686 7.98864 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 9.99396 4.10466 6.06793 10.4282 6.97024 7.99036 numMergedOcc 0
27 mol 251 unq 0 iso 0 dist 7.73217 3.46172 8.15014 5.85851 5.04918 7.72528 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 8.85493 14.3597 9.09279 21.9934 15.5357 9.81261 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 8.60635 6.85091 9.29687 14.707 14.3247 9.21469 numMergedOcc 0
