0 mol 0 unq 0 iso 0 dist 6.28506 7.79297 5.14913 11.9798 13.3779 8.82102 11.7303 11.903 7.65806 4.87624 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.31896 9.28341 4.05028 12.5091 10.2498 8.39221 5.58255 6.45858 6.38364 7.00835 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 6.01552 5.50504 4.90701 5.25196 9.67403 9.62468 7.62418 11.0419 6.65721 10.7369 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 6.01552 5.50504 4.90701 5.25196 9.67403 9.62468 6.53977 8.46556 6.72123 11.5608 numMergedOcc 0
4 mol 61 unq 2 iso 0 dist 6.01552 5.50504 4.90701 6.97911 9.7314 5.92705 7.62418 11.0419 6.65721 5.4671 numMergedOcc 0
5 mol 61 unq 3 iso 0 dist 6.01552 5.50504 4.90701 6.97911 9.7314 5.92705 6.53977 8.46556 6.72123 10.1513 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.03407 8.3558 7.17015 5.38868 6.78043 4.98104 15.1474 13.8155 7.4729 10.7572 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 8.03407 8.3558 7.17015 5.38868 6.78043 4.98104 8.66262 11.9838 6.82344 5.50764 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 6.39759 8.3558 4.52119 5.38868 5.74364 4.98104 15.1474 11.8917 7.4729 10.7572 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 6.39759 8.3558 4.52119 5.38868 5.74364 4.98104 8.66262 9.79361 6.82344 5.50764 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 5.93206 9.23803 4.93112 5.20171 7.66832 9.74643 6.32175 8.73648 8.58044 5.5332 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 5.93206 8.05028 4.48038 5.20171 7.66832 6.86702 6.32175 8.73648 9.97763 5.5332 numMergedOcc 0
12 mol 109 unq 2 iso 0 dist 7.73529 9.23803 10.5733 5.20171 8.11083 9.74643 6.32175 12.2141 8.58044 5.5332 numMergedOcc 0
13 mol 109 unq 3 iso 0 dist 7.73529 8.05028 4.76017 5.20171 8.11083 6.86702 6.32175 12.2141 9.97763 5.5332 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 8.3907 8.47907 4.42285 6.85647 10.8176 8.33083 9.75696 9.69426 8.37808 12.4383 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 5.91079 6.11505 4.78067 5.03046 6.09754 8.43584 9.35174 13.2374 9.61492 12.4616 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 5.91079 6.11505 4.78067 5.03046 6.09754 8.43584 11.3225 9.34594 7.45763 10.6123 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 4.38586 8.53615 8.65216 14.8014 17.1493 9.84492 6.81165 8.6537 8.22528 11.9226 numMergedOcc 0
18 mol 241 unq 0 iso 0 dist 5.66945 6.90245 6.72492 10.121 12.3126 9.72526 5.3674 8.40773 7.4631 4.86437 numMergedOcc 0
19 mol 248 unq 0 iso 0 dist 8.4908 7.40475 11.014 11.0674 17.6356 8.71859 7.63032 13.9803 7.69895 4.53213 numMergedOcc 0
20 mol 248 unq 1 iso 0 dist 8.4908 7.40475 11.014 11.0674 17.6356 8.71859 6.42334 14.4105 7.21521 6.33032 numMergedOcc 0
21 mol 248 unq 2 iso 0 dist 8.4908 7.40475 11.014 11.0674 17.6356 8.71859 6.86606 13.4339 8.2965 11.762 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 8.79625 9.91518 13.5373 5.49004 6.83278 9.82774 12.8387 16.7479 8.44326 10.5903 numMergedOcc 0
23 mol 278 unq 1 iso 0 dist 9.9609 9.91518 11.4765 5.49004 14.6962 9.82774 12.8387 16.4361 8.44326 10.5903 numMergedOcc 0
