0 mol 11 unq 0 iso 0 dist 9.36555 9.67404 6.79478 13.1846 4.13124 8.01262 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.36555 9.67404 6.79478 14.8761 13.0674 6.58046 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 5.86972 7.46414 9.23576 11.0959 7.10133 8.83233 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.27355 10.8067 9.68526 7.02693 8.0072 6.23522 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.60363 10.8067 9.72442 7.02693 9.61302 6.23522 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 9.27331 10.163 9.72442 14.0314 9.61302 6.23522 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 8.83191 13.3198 8.42147 18.046 10.3018 9.06601 numMergedOcc 0
7 mol 111 unq 1 iso 0 dist 8.83191 13.3198 8.42147 12.5912 4.88926 5.98809 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 5.31281 5.24877 8.42445 13.8371 13.1958 9.93438 numMergedOcc 0
9 mol 126 unq 0 iso 0 dist 7.25133 4.57807 7.11388 5.78493 4.32945 8.2777 numMergedOcc 0
10 mol 126 unq 1 iso 0 dist 9.33622 10.1683 7.11388 13.3358 4.32945 8.2777 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 7.07421 4.80675 6.29026 4.4077 6.14663 7.97548 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 7.07421 4.80675 6.29026 8.4874 5.32811 9.64164 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 6.94435 6.34094 9.91643 11.0218 11.0219 5.92733 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.07294 13.1243 8.84018 9.35049 3.75786 5.78814 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 7.50126 15.9524 8.84018 10.3668 3.75786 5.78814 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 5.59682 6.62991 8.89982 6.68265 4.19899 7.55934 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 7.71277 7.17016 8.89982 7.78842 4.19899 7.55934 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 6.4737 7.20811 9.74498 9.71586 6.37913 7.55419 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 6.03184 5.52686 9.57611 8.06007 9.57126 9.32259 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 8.14441 13.6129 8.0974 18.2521 12.4011 4.72821 numMergedOcc 0
21 mol 183 unq 0 iso 0 dist 6.21267 11.4393 7.31181 16.4323 10.7786 9.96536 numMergedOcc 0
22 mol 183 unq 1 iso 0 dist 7.41743 6.81609 7.31181 15.7115 10.7786 9.96536 numMergedOcc 0
23 mol 198 unq 0 iso 0 dist 4.58291 4.81051 6.47339 7.94413 6.52619 6.77156 numMergedOcc 0
24 mol 198 unq 1 iso 0 dist 4.58291 4.81051 6.47339 11.458 9.94769 7.97894 numMergedOcc 0
25 mol 198 unq 2 iso 0 dist 4.58291 4.81051 6.47339 10.5362 8.48501 8.08471 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 7.65323 7.20088 8.31638 5.73198 3.57449 9.4629 numMergedOcc 0
27 mol 206 unq 1 iso 0 dist 8.63033 12.1408 9.72979 16.684 13.6373 9.4629 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 6.24111 13.3929 9.67457 11.6806 8.81074 6.85824 numMergedOcc 0
29 mol 210 unq 1 iso 0 dist 9.00343 12.3088 9.67457 11.2036 8.81074 6.85824 numMergedOcc 0
30 mol 210 unq 2 iso 0 dist 6.41444 13.3774 9.67457 14.5181 8.81074 6.85824 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 8.97411 4.6881 5.73296 5.94328 8.9947 8.03012 numMergedOcc 0
32 mol 258 unq 1 iso 0 dist 8.57305 6.51074 5.81927 10.1768 4.87461 7.12221 numMergedOcc 0
33 mol 258 unq 2 iso 0 dist 8.57305 6.51074 5.81927 10.2662 9.93118 5.4557 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 6.12202 7.23876 9.02749 8.67957 12.2201 8.12739 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 6.12202 7.23876 9.02749 10.7454 12.2802 6.09853 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 6.23539 6.16829 9.02914 10.4606 11.5613 7.42932 numMergedOcc 0
37 mol 277 unq 1 iso 0 dist 6.23539 7.44724 6.90434 10.4606 11.5613 4.9764 numMergedOcc 0
38 mol 277 unq 2 iso 0 dist 6.23539 7.44724 6.90434 13.1741 13.0566 6.36559 numMergedOcc 0
39 mol 283 unq 0 iso 0 dist 7.53773 4.69801 9.53225 10.5131 7.27864 9.07995 numMergedOcc 0
40 mol 285 unq 0 iso 0 dist 4.74716 5.93692 8.71213 6.07843 3.97296 6.71946 numMergedOcc 0
41 mol 285 unq 1 iso 0 dist 4.74716 5.93692 8.71213 11.1685 11.6681 8.28061 numMergedOcc 0
42 mol 285 unq 2 iso 0 dist 4.74716 5.93692 8.71213 9.66678 10.6606 5.03601 numMergedOcc 0
