0 mol 8 unq 0 iso 0 dist 9.36227 9.91301 8.5845 7.96271 5.38101 8.85986 13.8883 17.0679 9.01112 15.3906 numMergedOcc 0
1 mol 78 unq 0 iso 0 dist 9.84346 9.23023 7.17843 9.739 12.0321 5.40759 13.8703 7.32064 6.85523 10.5655 numMergedOcc 0
2 mol 78 unq 1 iso 0 dist 9.84346 9.23023 7.17843 9.739 12.0321 5.40759 11.9719 5.85007 5.77326 10.9538 numMergedOcc 0
3 mol 78 unq 2 iso 0 dist 9.46472 9.23023 4.4651 9.739 8.84528 5.40759 13.8703 4.62314 6.85523 10.5655 numMergedOcc 0
4 mol 78 unq 3 iso 0 dist 9.46472 9.23023 4.4651 9.739 8.84528 5.40759 11.9719 6.35234 5.77326 10.9538 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 5.96486 9.08307 5.65355 6.22059 3.55079 6.08849 3.71228 5.73799 7.07095 7.1229 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 8.06034 5.17585 5.48442 8.12196 11.2738 6.68847 3.82552 9.26141 4.22363 5.64143 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 9.16999 9.42513 4.70935 9.91321 9.21978 12.4721 8.71432 8.75894 6.08673 15.8154 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.12336 5.82404 9.73435 6.31523 9.72036 5.58281 11.5628 13.1452 8.77023 5.47256 numMergedOcc 0
9 mol 139 unq 0 iso 0 dist 8.49892 6.34417 5.30274 9.15824 9.85537 7.93652 4.37138 7.02063 5.80789 11.8698 numMergedOcc 0
10 mol 259 unq 0 iso 0 dist 9.05363 5.90645 6.64729 4.98888 6.95971 4.51538 9.54522 13.9131 9.07743 12.4452 numMergedOcc 0
11 mol 273 unq 0 iso 0 dist 8.65593 8.57501 4.50319 9.66208 7.23337 4.89814 3.84082 10.9632 9.21786 10.0083 numMergedOcc 0
12 mol 292 unq 0 iso 0 dist 8.35169 7.53641 8.04474 8.25719 11.6201 9.6563 10.0594 5.72473 7.20674 14.9493 numMergedOcc 0
13 mol 292 unq 1 iso 0 dist 8.35169 7.53641 8.04474 8.25719 11.6201 9.6563 15.5666 12.7549 8.38121 17.2353 numMergedOcc 0
14 mol 292 unq 2 iso 0 dist 7.7557 7.53641 9.00118 8.25719 3.41551 9.6563 10.0594 12.9195 7.20674 14.9493 numMergedOcc 0
15 mol 292 unq 3 iso 0 dist 7.7557 7.53641 9.00118 8.25719 3.41551 9.6563 15.5666 16.2478 8.38121 17.2353 numMergedOcc 0
