0 mol 0 unq 0 iso 0 dist 8.9753 5.7347 5.75315 9.83964 11.6716 8.31596 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.9753 5.7347 5.75315 11.6903 6.78129 6.3267 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.48994 6.00133 9.65897 9.5209 6.49199 7.18766 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 6.887 9.12499 8.38156 9.4815 10.4688 8.55901 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 6.887 9.12499 8.38156 11.5694 5.60198 9.03412 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 5.51172 7.02939 5.91068 5.77643 4.22398 8.55901 numMergedOcc 0
6 mol 34 unq 3 iso 0 dist 7.93454 14.28 7.79336 16.2892 10.3961 8.55901 numMergedOcc 0
7 mol 34 unq 4 iso 0 dist 7.93454 14.28 7.79336 17.7097 9.85481 9.03412 numMergedOcc 0
8 mol 34 unq 5 iso 0 dist 9.06898 14.28 7.08559 16.2892 7.52709 8.55901 numMergedOcc 0
9 mol 34 unq 6 iso 0 dist 9.06898 14.28 7.08559 17.7097 10.3431 9.03412 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.21978 5.39389 8.0168 9.36283 6.04071 7.99631 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 9.21978 5.39389 8.0168 9.95565 5.65471 6.40036 numMergedOcc 0
12 mol 115 unq 2 iso 0 dist 9.26505 5.26498 7.65255 10.2245 5.78043 6.40036 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 9.13631 6.15672 5.52149 6.33375 11.3936 6.4218 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 5.24228 4.53891 4.26972 6.96294 6.37052 8.55681 numMergedOcc 0
15 mol 157 unq 0 iso 0 dist 8.51753 6.83479 6.4431 7.36432 5.38303 7.23499 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 5.82174 9.00192 6.52508 18.6245 14.5434 9.79554 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 8.03208 11.0605 9.76114 13.2601 9.433 4.79852 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 5.4767 4.40481 8.61306 11.7597 16.2592 8.57853 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 5.4767 4.40481 8.61306 8.03194 10.1772 6.75035 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 7.9002 4.42378 8.91356 8.94219 3.92979 8.75834 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 7.9002 4.42378 8.91356 10.5309 13.317 7.51827 numMergedOcc 0
22 mol 225 unq 2 iso 0 dist 7.9002 13.2284 9.59574 8.94219 3.92979 9.36396 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 6.39499 6.40261 8.27411 10.7835 6.00588 8.49841 numMergedOcc 0
24 mol 234 unq 1 iso 0 dist 6.39499 6.40261 8.27411 14.5137 13.9373 9.6101 numMergedOcc 0
