0 mol 24 unq 0 iso 0 dist 6.72502 5.11636 8.24948 8.86116 6.58998 7.95042 9.30028 13.3652 7.7447 15.4638 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.44506 7.11305 6.38243 10.2542 5.30734 9.12845 7.98005 12.4814 8.97754 11.5008 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.27383 4.00553 6.87028 10.3988 7.40296 9.97769 6.79356 6.21346 9.10675 11.884 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.27383 4.00553 6.87028 11.221 5.89202 9.32706 6.79356 6.21346 9.10675 12.0104 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 7.27383 4.00553 6.87028 6.64012 6.37648 9.08221 6.79356 6.21346 9.10675 5.87468 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 7.9814 5.74372 9.45329 10.6668 9.32986 6.17207 8.06267 9.21465 9.63906 12.0839 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 7.9814 5.74372 9.45329 10.6668 9.32986 6.17207 5.88334 6.22999 7.71872 10.0156 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 9.81831 9.34182 5.71763 17.8114 9.57225 9.22631 14.4051 5.99863 8.30921 9.12539 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 9.81831 9.34182 5.71763 17.8114 9.57225 9.22631 15.275 6.15015 7.39732 4.25258 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 9.81831 9.34182 5.71763 17.8114 9.57225 9.22631 18.8402 10.9803 9.67744 3.5172 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 9.12858 12.0103 5.71763 18.1813 9.57225 9.22631 14.2439 5.99863 8.30921 9.12539 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 9.12858 12.0103 5.71763 18.1813 9.57225 9.22631 15.2216 6.15015 7.39732 4.25258 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 9.12858 12.0103 5.71763 18.1813 9.57225 9.22631 19.9253 10.9803 9.67744 3.5172 numMergedOcc 0
13 mol 93 unq 6 iso 0 dist 9.4523 12.9351 5.71763 18.6831 9.57225 9.22631 11.2863 5.99863 8.30921 9.12539 numMergedOcc 0
14 mol 93 unq 7 iso 0 dist 9.4523 12.9351 5.71763 18.6831 9.57225 9.22631 14.6786 6.15015 7.39732 4.25258 numMergedOcc 0
15 mol 93 unq 8 iso 0 dist 9.4523 12.9351 5.71763 18.6831 9.57225 9.22631 19.377 10.9803 9.67744 3.5172 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 6.43433 6.95317 4.99604 11.5121 10.1567 9.02706 6.87434 4.25001 5.92828 6.35793 numMergedOcc 0
17 mol 112 unq 1 iso 0 dist 6.43433 6.95317 4.99604 7.71338 8.56707 8.47988 6.87434 4.25001 5.92828 4.69658 numMergedOcc 0
18 mol 112 unq 2 iso 0 dist 9.92283 10.9279 4.99604 16.5915 10.1567 9.02706 11.5809 4.25001 5.92828 6.35793 numMergedOcc 0
19 mol 112 unq 3 iso 0 dist 9.92283 10.9279 4.99604 12.603 8.56707 8.47988 11.5809 4.25001 5.92828 4.69658 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 12.9594 6.02179 5.35237 18.4634 12.7348 4.94473 7.89899 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 7.36779 14.2036 8.48313 18.1911 10.9332 7.99477 18.4634 12.7348 4.94473 9.39407 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 8.20836 16.4114 8.48313 14.0375 6.02179 5.35237 20.8896 12.7348 4.94473 7.89899 numMergedOcc 0
23 mol 134 unq 3 iso 0 dist 8.20836 16.4114 8.48313 17.9288 10.9332 7.99477 20.8896 12.7348 4.94473 9.39407 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 8.35555 4.94983 7.1069 10.399 7.2238 6.59889 6.79114 4.78989 8.60651 10.6994 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 8.35555 4.94983 7.1069 5.87555 5.59336 6.70693 6.79114 4.78989 8.60651 4.68615 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 9.2581 9.01393 7.97027 12.6531 6.42798 6.74196 16.7372 9.06039 9.79673 5.17002 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 9.2581 9.01393 7.97027 12.6531 6.42798 6.74196 10.3894 3.98816 6.39673 6.70898 numMergedOcc 0
28 mol 222 unq 2 iso 0 dist 9.2581 5.64455 4.9876 12.6531 6.42798 8.36842 10.3894 3.98816 7.80676 6.70898 numMergedOcc 0
29 mol 222 unq 3 iso 0 dist 9.62632 13.3586 7.97027 11.8674 6.42798 6.74196 16.4436 9.06039 9.79673 5.17002 numMergedOcc 0
30 mol 222 unq 4 iso 0 dist 9.62632 13.3586 7.97027 11.8674 6.42798 6.74196 13.2354 3.98816 6.39673 6.70898 numMergedOcc 0
31 mol 222 unq 5 iso 0 dist 9.62632 5.9478 4.9876 11.8674 6.42798 8.36842 13.2354 3.98816 7.80676 6.70898 numMergedOcc 0
32 mol 222 unq 6 iso 0 dist 7.862 8.84507 7.97027 6.00706 6.42798 6.74196 11.04 9.06039 9.79673 5.17002 numMergedOcc 0
33 mol 222 unq 7 iso 0 dist 7.862 8.84507 7.97027 6.00706 6.42798 6.74196 10.2446 3.98816 6.39673 6.70898 numMergedOcc 0
34 mol 222 unq 8 iso 0 dist 7.862 6.02502 4.9876 6.00706 6.42798 8.36842 10.2446 3.98816 7.80676 6.70898 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 8.87609 17.3148 9.87668 22.4468 16.6392 8.1945 22.7648 13.9338 8.74463 14.2198 numMergedOcc 0
36 mol 225 unq 1 iso 0 dist 8.87609 17.3148 9.87668 13.3684 4.76151 6.50998 22.7648 13.9338 8.74463 9.72811 numMergedOcc 0
37 mol 252 unq 0 iso 0 dist 6.11473 5.6214 9.39658 10.5136 13.9054 7.15764 11.065 10.4138 7.62991 9.73449 numMergedOcc 0
38 mol 252 unq 1 iso 0 dist 6.11473 5.6214 9.39658 10.5136 13.9054 7.15764 14.2216 19.1465 9.81261 9.93981 numMergedOcc 0
39 mol 252 unq 2 iso 0 dist 6.53679 5.6214 5.9974 10.5136 7.63376 7.15764 11.065 6.33781 7.62991 9.73449 numMergedOcc 0
40 mol 252 unq 3 iso 0 dist 6.53679 5.6214 5.9974 10.5136 7.63376 7.15764 14.2216 14.8966 9.81261 9.93981 numMergedOcc 0
41 mol 252 unq 4 iso 0 dist 7.50201 7.40852 5.9974 7.19638 7.63376 7.15764 12.8652 6.33781 7.62991 9.73449 numMergedOcc 0
42 mol 252 unq 5 iso 0 dist 7.50201 7.40852 5.9974 7.19638 7.63376 7.15764 12.9602 14.8966 9.81261 9.93981 numMergedOcc 0
43 mol 264 unq 0 iso 0 dist 7.52281 5.71153 6.02757 10.4298 6.84156 9.19754 14.7806 8.89888 9.87744 10.1415 numMergedOcc 0
44 mol 264 unq 1 iso 0 dist 7.52281 5.71153 6.02757 9.90113 9.37297 8.29262 14.7806 8.89888 9.87744 11.5587 numMergedOcc 0
45 mol 264 unq 2 iso 0 dist 6.42588 6.56539 6.02757 12.864 6.84156 9.19754 10.4401 8.89888 9.87744 10.1415 numMergedOcc 0
46 mol 264 unq 3 iso 0 dist 6.42588 6.56539 6.02757 13.9815 9.37297 8.29262 10.4401 8.89888 9.87744 11.5587 numMergedOcc 0
47 mol 264 unq 4 iso 0 dist 6.04162 11.4167 7.14086 10.4298 4.48907 5.90924 14.1991 9.4435 8.55386 8.3189 numMergedOcc 0
48 mol 264 unq 5 iso 0 dist 6.04162 11.4167 7.14086 14.2152 9.09085 5.90058 14.1991 9.4435 8.55386 3.35448 numMergedOcc 0
49 mol 264 unq 6 iso 0 dist 6.04162 11.4167 7.14086 12.864 10.1591 9.58916 14.1991 9.4435 8.55386 16.639 numMergedOcc 0
50 mol 264 unq 7 iso 0 dist 6.14323 13.2035 7.14086 9.90113 4.48907 5.90924 13.9142 9.4435 8.55386 8.3189 numMergedOcc 0
51 mol 264 unq 8 iso 0 dist 6.14323 13.2035 7.14086 14.5869 9.09085 5.90058 13.9142 9.4435 8.55386 3.35448 numMergedOcc 0
52 mol 264 unq 9 iso 0 dist 6.14323 13.2035 7.14086 13.9815 10.1591 9.58916 13.9142 9.4435 8.55386 16.639 numMergedOcc 0
