0 mol 24 unq 0 iso 0 dist 7.95042 6.58998 8.24948 15.4638 7.7447 13.3652 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.12845 5.30734 6.38243 11.5008 8.97754 12.4814 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.97769 7.40296 6.87028 11.884 9.10675 6.21346 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 9.32706 5.89202 6.87028 12.0104 9.10675 6.21346 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 9.08221 6.37648 6.87028 5.87468 9.10675 6.21346 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 6.17207 9.32986 9.45329 12.0839 9.63906 9.21465 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 6.17207 9.32986 9.45329 10.0156 7.71872 6.22999 numMergedOcc 0
7 mol 68 unq 2 iso 0 dist 9.8703 8.53692 8.05514 10.9724 8.19932 13.0221 numMergedOcc 0
8 mol 68 unq 3 iso 0 dist 7.39665 15.0902 8.05514 10.6721 8.19932 13.0221 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 9.22631 9.57225 5.71763 9.12539 8.30921 5.99863 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 9.22631 9.57225 5.71763 4.25258 7.39732 6.15015 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 9.22631 9.57225 5.71763 3.5172 9.67744 10.9803 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.02706 10.1567 4.99604 6.35793 5.92828 4.25001 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 8.47988 8.56707 4.99604 4.69658 5.92828 4.25001 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 5.35237 6.02179 8.48313 7.89899 4.94473 12.7348 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 7.99477 10.9332 8.48313 9.39407 4.94473 12.7348 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 5.40637 10.8441 8.68663 6.75249 6.60366 5.42311 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 6.59889 7.2238 7.1069 10.6994 8.60651 4.78989 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 6.70693 5.59336 7.1069 4.68615 8.60651 4.78989 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 7.2793 6.87725 8.31881 4.04122 9.34653 9.09659 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 6.52816 5.54129 7.53395 6.49049 4.97301 6.72925 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 6.74196 6.42798 7.97027 5.17002 9.79673 9.06039 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 6.74196 6.42798 7.97027 6.70898 6.39673 3.98816 numMergedOcc 0
23 mol 222 unq 2 iso 0 dist 8.36842 6.42798 4.9876 6.70898 7.80676 3.98816 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 8.1945 17.0241 9.57955 14.2198 8.74463 8.38864 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 8.1945 16.6392 9.87668 14.2198 8.74463 13.9338 numMergedOcc 0
26 mol 225 unq 2 iso 0 dist 6.50998 10.6484 9.57955 9.72811 8.74463 8.38864 numMergedOcc 0
27 mol 225 unq 3 iso 0 dist 6.50998 4.76151 9.87668 9.72811 8.74463 13.9338 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 7.15764 13.9054 9.39658 9.73449 7.62991 10.4138 numMergedOcc 0
29 mol 252 unq 1 iso 0 dist 7.15764 13.9054 9.39658 9.93981 9.81261 19.1465 numMergedOcc 0
30 mol 252 unq 2 iso 0 dist 7.15764 7.63376 5.9974 9.73449 7.62991 6.33781 numMergedOcc 0
31 mol 252 unq 3 iso 0 dist 7.15764 7.63376 5.9974 9.93981 9.81261 14.8966 numMergedOcc 0
32 mol 264 unq 0 iso 0 dist 5.90924 4.48907 7.14086 8.3189 8.55386 9.4435 numMergedOcc 0
33 mol 264 unq 1 iso 0 dist 5.90058 9.09085 7.14086 3.35448 8.55386 9.4435 numMergedOcc 0
34 mol 264 unq 2 iso 0 dist 9.58916 10.1591 7.14086 16.639 8.55386 9.4435 numMergedOcc 0
35 mol 264 unq 3 iso 0 dist 9.19754 6.84156 6.02757 10.1415 9.87744 8.89888 numMergedOcc 0
36 mol 264 unq 4 iso 0 dist 8.29262 9.37297 6.02757 11.5587 9.87744 8.89888 numMergedOcc 0
