0 mol 7 unq 0 iso 0 dist 9.8603 13.8384 5.72491 20.1827 10.515 7.45262 15.8072 8.72114 10.1959 9.97624 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 10.3237 7.88043 10.9688 6.06176 7.45262 10.1958 10.3148 10.1959 9.97624 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.51421 13 8.80762 10.9688 6.06176 6.96586 10.1958 10.3148 13.9514 9.97624 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.6396 13.3963 6.6492 12.5693 4.70708 8.5404 16.0077 9.01548 9.12941 6.63839 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.88695 6.29311 5.69955 13.7373 9.87119 7.61055 10.5687 10.177 5.30297 7.3022 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.02717 4.92962 5.72642 14.0848 11.7126 9.9928 13.9604 12.13 9.18958 5.60389 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 8.44385 9.79485 7.99857 13.4009 7.36192 5.85818 20.1338 14.2293 11.7884 7.26955 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 5.63005 9.79485 8.56342 13.4009 10.6679 5.85818 20.1338 17.9198 11.7884 7.26955 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 8.30654 6.29937 8.41611 10.2332 5.44503 6.40901 6.01193 9.14266 5.99865 9.30424 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 8.30654 6.49958 7.63338 11.674 6.01455 8.1582 11.6678 7.78652 11.5146 6.46089 numMergedOcc 0
10 mol 143 unq 2 iso 0 dist 8.30654 6.49958 7.63338 10.2332 5.44503 9.40626 6.01193 9.14266 11.2236 9.30424 numMergedOcc 0
11 mol 143 unq 3 iso 0 dist 8.30654 5.82537 7.25673 11.674 6.01455 7.88655 11.6678 7.78652 6.60479 6.46089 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 7.97007 6.23157 7.25742 8.91189 4.57561 7.13269 6.69743 8.4858 7.97232 5.9032 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 9.90531 7.32981 7.24199 14.1636 5.71262 8.53433 11.0516 8.77999 3.86183 7.33225 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 7.63036 6.90444 6.60567 16.6506 13.6975 9.79691 16.3003 17.8873 11.4252 9.82588 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 9.54857 12.7168 8.55558 10.5864 5.79468 6.39918 8.74892 7.08526 6.31909 8.71497 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 6.42725 12.2782 8.59697 8.65525 5.31048 6.39918 10.444 10.4552 6.31909 8.71497 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 9.77689 9.41779 6.57903 16.096 9.92201 7.25677 14.4283 10.5329 5.43373 6.43034 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 8.51931 12.4389 6.57903 16.2537 9.92201 7.25677 14.3929 10.5329 5.43373 6.43034 numMergedOcc 0
