0 mol 26 unq 0 iso 0 dist 5.58467 9.15677 7.42841 9.95406 7.14934 13.8914 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 8.71965 7.06199 9.81959 13.9752 9.29873 16.3618 numMergedOcc 0
2 mol 94 unq 0 iso 0 dist 8.80788 9.24996 6.79503 5.68258 9.33801 10.1664 numMergedOcc 0
3 mol 94 unq 1 iso 0 dist 8.80788 8.37473 7.11306 5.68258 9.33801 12.5704 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 6.46753 9.79448 9.75166 6.02237 8.40046 9.30299 numMergedOcc 0
5 mol 156 unq 0 iso 0 dist 8.46837 7.39961 9.97803 6.52984 7.30021 10.4649 numMergedOcc 0
6 mol 156 unq 1 iso 0 dist 8.46837 7.80643 5.0966 6.52984 7.30021 7.44554 numMergedOcc 0
7 mol 182 unq 0 iso 0 dist 5.16184 6.31492 5.40949 7.48422 7.86625 9.31746 numMergedOcc 0
8 mol 182 unq 1 iso 0 dist 8.54162 7.8621 5.40949 6.98787 7.86625 9.31746 numMergedOcc 0
9 mol 199 unq 0 iso 0 dist 7.21813 9.09788 10.8434 4.40457 8.68505 13.4942 numMergedOcc 0
10 mol 199 unq 1 iso 0 dist 9.74632 9.09788 8.8932 10.7915 9.60407 16.4284 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 8.87835 7.19917 5.82028 9.55205 9.67457 6.18308 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 9.91243 7.14277 5.66819 6.79177 9.93257 10.7873 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 7.73616 7.69537 7.85135 5.41675 6.08709 6.61986 numMergedOcc 0
14 mol 231 unq 0 iso 0 dist 9.16488 8.17766 5.3251 11.3675 7.79865 7.37839 numMergedOcc 0
15 mol 231 unq 1 iso 0 dist 9.16488 8.17766 5.3251 12.5238 6.14348 8.40182 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 8.99792 8.62971 4.86437 4.99503 9.72526 7.4631 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 9.09556 5.81421 5.56416 9.96224 9.59213 12.0259 numMergedOcc 0
18 mol 282 unq 0 iso 0 dist 9.40138 7.70229 4.58403 8.93697 5.67266 8.76532 numMergedOcc 0
19 mol 282 unq 1 iso 0 dist 9.40138 7.90792 5.04235 8.93697 5.67266 6.33524 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 4.70976 9.27402 5.21448 5.32637 8.42412 13.0458 numMergedOcc 0
21 mol 284 unq 1 iso 0 dist 4.70976 9.26573 5.10189 5.32637 8.42412 11.0045 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 8.80158 8.84268 10.8985 11.9588 9.37818 18.1588 numMergedOcc 0
23 mol 294 unq 1 iso 0 dist 9.83824 9.6958 5.94839 6.16695 9.06517 11.4714 numMergedOcc 0
24 mol 294 unq 2 iso 0 dist 5.49473 9.6958 12.2027 6.45234 6.47832 15.7918 numMergedOcc 0
