0 mol 73 unq 0 iso 0 dist 7.75341 5.7253 5.17145 7.94629 8.4701 9.43915 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.48388 12.5542 6.9223 9.5868 6.87506 8.67827 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 9.48388 12.4705 7.0561 9.5868 6.87506 13.0818 numMergedOcc 0
3 mol 105 unq 0 iso 0 dist 9.11206 12.4798 7.44838 15.02 7.77089 4.22355 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.58666 8.28084 7.34602 11.8321 8.06134 12.2538 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 9.58666 8.28084 7.34602 12.465 5.36587 8.49846 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 5.44814 12.2045 8.612 6.48478 5.06564 6.60479 numMergedOcc 0
7 mol 143 unq 1 iso 0 dist 5.44814 12.2045 8.612 7.09076 7.5373 7.54337 numMergedOcc 0
8 mol 170 unq 0 iso 0 dist 8.95292 4.77713 5.13268 11.6623 6.47164 7.29587 numMergedOcc 0
9 mol 170 unq 1 iso 0 dist 8.95292 4.77713 5.13268 10.9608 9.65126 8.73585 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 5.08438 10.7217 7.87972 8.94335 9.24936 11.4252 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 8.83742 12.1028 8.54702 6.47466 5.05368 10.0385 numMergedOcc 0
12 mol 235 unq 0 iso 0 dist 8.31344 10.9906 9.11454 13.3219 8.97952 5.92143 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 7.69491 14.0929 8.88763 13.0625 8.95511 16.7674 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 7.69491 14.0929 8.88763 4.88461 5.85002 9.48848 numMergedOcc 0
15 mol 239 unq 2 iso 0 dist 7.69491 10.4935 6.43209 13.0625 8.95511 13.3917 numMergedOcc 0
16 mol 239 unq 3 iso 0 dist 7.69491 10.4935 6.43209 4.88461 5.85002 6.77384 numMergedOcc 0
17 mol 239 unq 4 iso 0 dist 7.69491 13.5016 8.48769 13.0625 8.95511 9.38172 numMergedOcc 0
18 mol 239 unq 5 iso 0 dist 7.69491 13.5016 8.48769 4.88461 5.85002 11.9537 numMergedOcc 0
19 mol 239 unq 6 iso 0 dist 6.64008 5.15966 8.88763 15.1473 8.95511 16.7674 numMergedOcc 0
20 mol 239 unq 7 iso 0 dist 6.64008 5.15966 8.88763 6.62656 5.85002 9.48848 numMergedOcc 0
21 mol 239 unq 8 iso 0 dist 6.64008 8.27455 6.43209 15.1473 8.95511 13.3917 numMergedOcc 0
22 mol 239 unq 9 iso 0 dist 6.64008 8.27455 6.43209 6.62656 5.85002 6.77384 numMergedOcc 0
23 mol 239 unq 10 iso 0 dist 6.64008 13.5505 8.48769 15.1473 8.95511 9.38172 numMergedOcc 0
24 mol 239 unq 11 iso 0 dist 6.64008 13.5505 8.48769 6.62656 5.85002 11.9537 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 4.54745 12.7164 9.39658 5.53685 8.09509 17.2823 numMergedOcc 0
26 mol 252 unq 1 iso 0 dist 4.54745 7.37634 5.9974 5.53685 8.09509 12.0545 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 9.0208 12.6413 8.20485 8.19557 9.63518 8.62248 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 9.30393 12.1716 8.20485 15.6606 9.63518 8.62248 numMergedOcc 0
29 mol 273 unq 0 iso 0 dist 5.63226 7.32607 5.4307 6.30473 5.61969 9.76492 numMergedOcc 0
30 mol 273 unq 1 iso 0 dist 5.63226 7.32607 5.4307 8.96178 9.0277 11.5256 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 8.9352 7.91886 5.81528 13.4771 7.17958 8.43508 numMergedOcc 0
32 mol 279 unq 1 iso 0 dist 5.8845 9.00832 5.81528 12.7014 7.17958 8.43508 numMergedOcc 0
