0 mol 12 unq 0 iso 0 dist 9.25493 10.3414 6.96422 13.418 5.0983 8.37562 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.99751 10.7581 7.22361 8.62527 10.4631 9.03539 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.99751 10.7581 7.22361 12.9904 4.77336 8.50339 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.30674 11.3546 7.22361 12.0461 10.4631 9.03539 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 9.30674 11.3546 7.22361 13.9594 4.77336 8.50339 numMergedOcc 0
5 mol 26 unq 4 iso 0 dist 8.25567 10.6733 7.22361 14.6744 10.4631 9.03539 numMergedOcc 0
6 mol 26 unq 5 iso 0 dist 8.25567 10.6733 7.22361 12.8725 4.77336 8.50339 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 4.38047 8.98505 6.30987 8.34361 5.01159 8.41365 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 8.85981 4.62903 5.84875 11.7263 3.85135 9.33168 numMergedOcc 0
9 mol 56 unq 1 iso 0 dist 8.85981 4.62903 5.84875 10.6727 4.936 7.93388 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.18898 10.8544 6.72712 13.7136 4.665 7.36397 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 9.18898 10.4617 5.39745 13.7136 4.665 6.58062 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 8.96382 4.7832 5.79343 12.1077 7.62766 7.81181 numMergedOcc 0
13 mol 114 unq 1 iso 0 dist 8.27794 11.5542 6.51395 15.7638 14.3305 8.90311 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 6.66022 5.46352 5.60389 9.94634 5.67542 6.87582 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 6.66022 5.46352 5.60389 5.87592 5.16645 8.77794 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 7.6005 5.79458 6.49383 8.51507 7.11876 9.88812 numMergedOcc 0
17 mol 116 unq 1 iso 0 dist 8.7583 9.91115 6.49383 8.22285 7.11876 9.88812 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 9.38737 10.5012 8.41245 10.9897 10.735 9.13913 numMergedOcc 0
19 mol 173 unq 1 iso 0 dist 9.51638 12.905 6.64779 21.7805 14.6187 9.13913 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 5.66363 7.58472 5.95304 11.7011 7.23046 7.88787 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 5.97968 4.24915 5.95304 9.99964 7.23046 7.88787 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 8.50382 4.20499 5.95304 6.93144 7.23046 7.88787 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 8.63119 5.70246 5.95304 13.2994 7.23046 7.88787 numMergedOcc 0
24 mol 181 unq 4 iso 0 dist 9.07527 12.5567 8.9289 17.6924 12.6646 9.7281 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 9.37017 14.7966 9.33696 18.4726 9.80942 8.61217 numMergedOcc 0
26 mol 188 unq 1 iso 0 dist 9.37017 14.7966 9.33696 23.5541 17.4486 9.56587 numMergedOcc 0
27 mol 195 unq 0 iso 0 dist 8.13947 4.04021 9.82588 9.39697 6.45756 9.75763 numMergedOcc 0
28 mol 195 unq 1 iso 0 dist 8.13947 4.04021 9.82588 4.86882 5.65165 6.52001 numMergedOcc 0
29 mol 232 unq 0 iso 0 dist 9.41148 6.17401 7.10413 8.21479 13.3182 8.94854 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 9.69704 8.75798 9.58354 8.11437 5.01342 6.52138 numMergedOcc 0
