0 mol 26 unq 0 iso 0 dist 8.65828 4.52042 9.80897 10.0924 6.15233 8.37225 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 9.34552 11.7927 8.02261 12.2917 5.25318 6.7877 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.7939 10.539 5.36012 6.85356 4.56026 6.3777 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 6.85356 10.539 6.3777 6.7939 4.56026 5.36012 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.44695 7.03229 5.36012 11.9229 4.56026 6.3777 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 5.68894 4.91508 5.36012 7.32265 4.56026 6.3777 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 7.32265 4.91508 6.3777 5.68894 4.56026 5.36012 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 7.93145 9.14798 6.96759 12.0932 4.41154 9.20448 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 7.93145 9.14798 6.96759 10.3439 5.23438 6.97318 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 7.26325 6.65856 6.42706 10.6541 10.8642 8.59695 numMergedOcc 0
10 mol 172 unq 0 iso 0 dist 7.44084 5.78278 5.44495 7.77643 10.1227 9.18538 numMergedOcc 0
11 mol 172 unq 1 iso 0 dist 7.77643 5.78278 9.18538 7.44084 10.1227 5.44495 numMergedOcc 0
12 mol 172 unq 2 iso 0 dist 5.28889 5.25252 5.44495 4.90175 10.1227 9.18538 numMergedOcc 0
13 mol 172 unq 3 iso 0 dist 4.90175 5.25252 9.18538 5.28889 10.1227 5.44495 numMergedOcc 0
14 mol 211 unq 0 iso 0 dist 9.24739 11.3709 7.3748 16.5142 8.11493 8.323 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 7.99609 5.01062 7.73634 11.7342 12.289 6.77368 numMergedOcc 0
16 mol 261 unq 0 iso 0 dist 7.3406 4.69366 5.00128 9.15672 7.14146 6.58604 numMergedOcc 0
17 mol 261 unq 1 iso 0 dist 7.3406 4.69366 5.00128 11.529 8.24663 7.30472 numMergedOcc 0
18 mol 261 unq 2 iso 0 dist 9.15672 4.69366 6.58604 7.3406 7.14146 5.00128 numMergedOcc 0
19 mol 261 unq 3 iso 0 dist 9.15672 4.69366 6.58604 11.529 4.86499 7.30472 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 7.79173 7.26296 9.65027 13.1728 10.6214 8.88221 numMergedOcc 0
