0 mol 7 unq 0 iso 0 dist 7.88043 5.99972 7.25346 5.99459 8.0744 6.12483 7.78327 10.6558 3.54153 7.00508 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.80762 5.99972 10.0658 5.99459 11.7002 6.12483 7.78327 13.5227 3.54153 7.00508 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 4.93188 8.70827 9.75636 6.6219 8.32592 4.04519 8.23075 4.21283 12.2271 10.1923 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 4.93188 8.70827 9.75636 6.6219 8.32592 4.04519 4.7841 4.97191 12.6431 9.92483 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 4.93188 8.70827 9.75636 5.68215 8.10397 13.7009 8.23075 4.21283 12.2271 9.24731 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 4.93188 8.70827 9.75636 5.68215 8.10397 13.7009 4.7841 4.97191 12.6431 3.53396 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 4.93188 6.73939 10.0715 6.6219 8.32592 12.5545 8.23075 4.21283 12.2839 10.1923 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 4.93188 6.73939 10.0715 6.6219 8.32592 12.5545 4.7841 4.97191 6.22954 9.92483 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 4.93188 6.73939 10.0715 5.68215 8.10397 4.08755 8.23075 4.21283 12.2839 9.24731 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 4.93188 6.73939 10.0715 5.68215 8.10397 4.08755 4.7841 4.97191 6.22954 3.53396 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 5.81959 8.6653 6.61233 7.6114 11.4877 10.8122 7.03372 6.32857 10.3493 9.34154 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 5.16364 6.02816 9.03289 8.72682 5.56296 13.952 8.62079 12.6176 12.0718 14.0236 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 5.16364 6.02816 9.03289 6.45841 6.69436 6.26495 8.62079 12.6176 12.0718 11.9118 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 5.16364 6.02816 9.03289 5.61588 5.50891 8.26195 8.62079 12.6176 12.0718 10.0644 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 5.16364 6.02816 9.03289 7.83244 4.75954 12.382 8.62079 12.6176 12.0718 12.1501 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 7.33422 7.54568 6.85215 7.7068 6.33204 4.93735 8.04242 9.09756 13.5973 11.1225 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 7.36975 9.05786 12.207 8.99891 7.87644 14.3396 14.4074 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 8.41611 7.78652 15.0801 5.40637 6.16103 10.0079 8.99891 7.87644 14.3396 5.94217 numMergedOcc 0
18 mol 143 unq 2 iso 0 dist 8.41611 8.91301 15.0315 7.36975 9.05786 14.7271 8.99891 7.87644 12.476 14.4074 numMergedOcc 0
19 mol 143 unq 3 iso 0 dist 8.41611 8.91301 15.0315 5.40637 6.16103 9.05366 8.99891 7.87644 12.476 5.94217 numMergedOcc 0
20 mol 143 unq 4 iso 0 dist 7.63338 7.78652 11.5146 7.36975 3.75378 12.207 8.99891 13.5899 14.3396 14.4074 numMergedOcc 0
21 mol 143 unq 5 iso 0 dist 7.63338 7.78652 11.5146 5.40637 8.4697 10.0079 8.99891 13.5899 14.3396 5.94217 numMergedOcc 0
22 mol 143 unq 6 iso 0 dist 7.63338 8.91301 13.434 7.36975 3.75378 14.7271 8.99891 13.5899 12.476 14.4074 numMergedOcc 0
23 mol 143 unq 7 iso 0 dist 7.63338 8.91301 13.434 5.40637 8.4697 9.05366 8.99891 13.5899 12.476 5.94217 numMergedOcc 0
24 mol 143 unq 8 iso 0 dist 9.03707 7.78652 8.97873 7.36975 14.0356 12.207 8.99891 9.13604 14.3396 14.4074 numMergedOcc 0
25 mol 143 unq 9 iso 0 dist 9.03707 7.78652 8.97873 5.40637 5.41614 10.0079 8.99891 9.13604 14.3396 5.94217 numMergedOcc 0
26 mol 143 unq 10 iso 0 dist 9.03707 8.91301 6.29542 7.36975 14.0356 14.7271 8.99891 9.13604 12.476 14.4074 numMergedOcc 0
27 mol 143 unq 11 iso 0 dist 9.03707 8.91301 6.29542 5.40637 5.41614 9.05366 8.99891 9.13604 12.476 5.94217 numMergedOcc 0
28 mol 143 unq 12 iso 0 dist 7.25673 7.78652 6.60479 7.36975 9.30534 12.207 8.99891 12.6218 14.3396 14.4074 numMergedOcc 0
29 mol 143 unq 13 iso 0 dist 7.25673 7.78652 6.60479 5.40637 6.78032 10.0079 8.99891 12.6218 14.3396 5.94217 numMergedOcc 0
30 mol 143 unq 14 iso 0 dist 7.25673 8.91301 7.54337 7.36975 9.30534 14.7271 8.99891 12.6218 12.476 14.4074 numMergedOcc 0
31 mol 143 unq 15 iso 0 dist 7.25673 8.91301 7.54337 5.40637 6.78032 9.05366 8.99891 12.6218 12.476 5.94217 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 5.4969 9.39352 8.94702 9.63417 9.37652 6.43397 9.19156 6.41193 11.8094 14.8784 numMergedOcc 0
33 mol 175 unq 1 iso 0 dist 6.4318 9.39352 4.06277 9.63417 4.52999 6.43397 9.19156 10.568 11.8094 14.8784 numMergedOcc 0
34 mol 175 unq 2 iso 0 dist 7.35824 9.39352 10.3786 9.63417 5.68406 6.43397 9.19156 14.7729 11.8094 14.8784 numMergedOcc 0
35 mol 175 unq 3 iso 0 dist 9.17364 9.39352 11.9672 9.63417 9.31641 6.43397 9.19156 18.0583 11.8094 14.8784 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 7.05695 8.1007 3.78314 6.93931 3.99552 5.70845 5.4547 numMergedOcc 0
37 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 7.41662 9.48862 8.90504 6.59544 11.5264 9.10355 5.60873 numMergedOcc 0
38 mol 195 unq 1 iso 0 dist 6.60567 6.95086 6.74112 7.41662 9.48862 5.60628 6.59544 11.5264 9.70528 5.60873 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 7.83711 9.05071 13.8622 6.71524 8.03712 11.2243 8.25985 6.20756 12.159 3.43286 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 7.83711 9.05071 13.8622 6.71524 8.03712 11.2243 9.27788 11.7554 8.36223 5.45761 numMergedOcc 0
