0 mol 1 unq 0 iso 0 dist 8.47429 8.93702 9.45781 6.79192 8.15672 12.6414 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 6.45965 8.95573 5.867 6.54236 8.02671 10.984 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 6.45965 8.95573 5.867 4.86477 6.09533 8.09187 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.90242 5.97065 5.88467 15.9311 8.97566 12.8445 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.90242 5.97065 5.88467 8.4126 8.81085 7.84204 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 9.07029 5.97065 6.66387 7.18898 7.89667 10.343 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 8.3907 9.55337 5.73775 12.1473 6.80798 9.08071 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 6.74947 9.55297 15.8344 6.34139 6.41183 14.917 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 6.74947 7.447 5.25586 6.34139 6.41183 9.23305 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 6.74947 6.59782 10.1908 6.34139 6.41183 10.0852 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 9.71025 5.81632 6.28784 5.71332 8.26128 5.97134 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 9.08229 9.4422 10.9873 5.60897 6.10021 11.4453 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 6.32064 8.87757 7.23312 5.38864 8.49554 13.5575 numMergedOcc 0
13 mol 204 unq 1 iso 0 dist 5.29176 8.87757 7.96412 5.38864 8.29256 13.5575 numMergedOcc 0
14 mol 204 unq 2 iso 0 dist 5.29176 8.87757 7.96412 5.13255 7.8274 11.4791 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 8.95136 6.37411 15.2718 3.30102 8.87165 7.74029 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 4.17978 5.13604 3.90017 5.32983 8.60252 9.92033 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 6.54859 7.05868 4.52208 3.2549 8.69334 7.58569 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 6.01542 9.28545 4.29127 7.69413 8.24013 8.13595 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 6.38338 8.70062 4.26276 7.70421 9.1471 7.77225 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 6.38338 8.70062 4.26276 9.73619 7.84189 5.50067 numMergedOcc 0
21 mol 287 unq 2 iso 0 dist 6.38338 9.919 9.92609 7.70421 9.1471 15.7293 numMergedOcc 0
22 mol 287 unq 3 iso 0 dist 6.38338 9.919 9.92609 9.73619 7.84189 17.2289 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 6.38338 8.70062 4.26276 7.70421 9.1471 7.77225 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 6.38338 8.70062 4.26276 9.73619 7.84189 5.50067 numMergedOcc 0
25 mol 288 unq 2 iso 0 dist 6.38338 9.919 9.92609 7.70421 9.1471 15.7293 numMergedOcc 0
26 mol 288 unq 3 iso 0 dist 6.38338 9.919 9.92609 9.73619 7.84189 17.2289 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 6.38338 8.70062 4.26276 7.70421 9.1471 7.77225 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 6.38338 8.70062 4.26276 9.73619 7.84189 5.50067 numMergedOcc 0
29 mol 289 unq 2 iso 0 dist 6.38338 9.919 9.92609 7.70421 9.1471 15.7293 numMergedOcc 0
30 mol 289 unq 3 iso 0 dist 6.38338 9.919 9.92609 9.73619 7.84189 17.2289 numMergedOcc 0
