0 mol 13 unq 0 iso 0 dist 7.71544 8.5226 6.49386 6.94397 10.4319 7.44816 numMergedOcc 0
1 mol 127 unq 0 iso 0 dist 9.16999 9.91321 9.21978 8.60326 9.8685 8.82676 numMergedOcc 0
2 mol 127 unq 1 iso 0 dist 9.16999 9.91321 9.21978 11.4002 14.135 8.17522 numMergedOcc 0
3 mol 127 unq 2 iso 0 dist 9.16999 9.91321 9.21978 11.7596 16.1472 8.14341 numMergedOcc 0
4 mol 127 unq 3 iso 0 dist 9.16999 9.91321 9.21978 7.698 10.0053 6.54744 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 8.883 5.25894 7.23769 4.90475 11.8382 5.36351 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.12336 6.31523 9.72036 4.64588 11.5178 8.75049 numMergedOcc 0
7 mol 165 unq 0 iso 0 dist 7.65047 5.94867 3.91877 5.37365 8.65108 5.50236 numMergedOcc 0
8 mol 185 unq 0 iso 0 dist 9.56016 6.70069 12.2909 4.53126 13.8686 8.78799 numMergedOcc 0
9 mol 185 unq 1 iso 0 dist 7.92501 6.70069 3.60036 4.53126 11.0291 8.78799 numMergedOcc 0
10 mol 185 unq 2 iso 0 dist 8.27418 9.52532 3.60036 9.27932 11.0291 8.78799 numMergedOcc 0
11 mol 219 unq 0 iso 0 dist 7.13496 8.72341 4.24863 14.1934 10.5566 7.68645 numMergedOcc 0
12 mol 219 unq 1 iso 0 dist 7.13496 8.72341 4.24863 13.288 9.97512 5.75017 numMergedOcc 0
13 mol 219 unq 2 iso 0 dist 7.13496 8.72341 4.24863 4.95329 4.87446 6.12768 numMergedOcc 0
14 mol 219 unq 3 iso 0 dist 7.13496 8.72341 4.24863 4.26247 7.49235 7.19159 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 7.50665 8.71535 3.52422 5.44171 7.50424 9.18589 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 5.86679 7.39089 9.59013 14.0386 17.9816 9.57009 numMergedOcc 0
17 mol 243 unq 1 iso 0 dist 8.28347 7.39089 6.69795 14.0386 16.2595 9.57009 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 6.40339 5.68936 6.61486 4.24014 10.454 7.27415 numMergedOcc 0
19 mol 251 unq 0 iso 0 dist 8.89433 6.32455 3.43331 12.3975 8.39644 9.207 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 8.36393 7.81415 3.27256 11.0354 10.1589 8.25636 numMergedOcc 0
