0 mol 1 unq 0 iso 0 dist 8.40848 8.27735 6.35409 8.7275 5.06184 4.50502 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.2056 6.41856 7.37821 8.35401 9.7591 3.96312 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 8.2056 8.51213 4.25207 8.35401 9.7591 13.06 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 9.49676 9.70612 16.3301 6.12374 5.96514 10.622 numMergedOcc 0
4 mol 38 unq 1 iso 0 dist 9.49676 6.46781 11.1811 6.12374 5.96514 6.10572 numMergedOcc 0
5 mol 38 unq 2 iso 0 dist 9.49676 8.19077 5.79134 6.12374 5.96514 4.40004 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.60396 8.99509 14.9742 7.86479 4.89928 11.2061 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.60396 8.47617 12.7554 7.86479 4.89928 8.6477 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 8.60396 5.73331 9.56289 7.86479 4.89928 6.33831 numMergedOcc 0
9 mol 43 unq 3 iso 0 dist 8.60396 8.48694 6.44102 7.86479 4.89928 4.46233 numMergedOcc 0
10 mol 55 unq 0 iso 0 dist 7.03751 7.74108 5.39888 9.873 3.82947 6.06485 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.04935 7.79726 12.1055 8.52697 10.0025 5.09159 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 9.04935 7.79726 12.1055 9.66612 10.8249 3.73197 numMergedOcc 0
13 mol 91 unq 0 iso 0 dist 7.62621 8.00525 10.2967 6.64714 6.44712 12.6799 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 8.84466 9.10877 12.5871 9.43355 3.91263 10.8106 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 8.84466 9.10877 12.5871 5.64141 5.59024 7.14217 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 8.84466 9.10877 12.5871 5.46186 12.9872 12.9351 numMergedOcc 0
17 mol 93 unq 3 iso 0 dist 9.2948 9.10877 13.6269 9.43355 15.8131 10.8106 numMergedOcc 0
18 mol 93 unq 4 iso 0 dist 9.2948 9.10877 13.6269 5.64141 13.6266 7.14217 numMergedOcc 0
19 mol 93 unq 5 iso 0 dist 9.2948 9.10877 13.6269 5.46186 5.17052 12.9351 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 8.21127 5.11612 6.75472 6.17349 5.33827 4.48636 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 8.21127 5.11612 6.75472 9.21978 12.6105 6.63111 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 7.99121 5.22628 6.59772 9.26505 12.8905 6.95773 numMergedOcc 0
23 mol 115 unq 3 iso 0 dist 6.30982 5.22628 4.86477 9.26505 11.7277 6.95773 numMergedOcc 0
24 mol 115 unq 4 iso 0 dist 6.12404 5.22628 5.24961 9.26505 8.29196 6.95773 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 5.59311 8.94909 14.4095 7.33743 3.84992 15.0115 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 9.22456 8.94909 17.145 7.33743 5.68827 15.0115 numMergedOcc 0
27 mol 133 unq 2 iso 0 dist 5.7232 8.94909 5.37072 7.33743 11.5628 15.0115 numMergedOcc 0
28 mol 146 unq 0 iso 0 dist 5.3184 8.53451 4.78114 6.76896 10.5314 12.6805 numMergedOcc 0
29 mol 146 unq 1 iso 0 dist 5.3184 7.24965 5.44003 6.76896 10.5314 8.33152 numMergedOcc 0
30 mol 147 unq 0 iso 0 dist 5.70772 9.23551 10.5583 8.73613 11.5768 5.59468 numMergedOcc 0
31 mol 147 unq 1 iso 0 dist 8.93916 7.4653 8.95179 8.10157 16.3583 10.5361 numMergedOcc 0
32 mol 147 unq 2 iso 0 dist 8.93916 7.95564 11.4531 8.10157 16.3583 8.88819 numMergedOcc 0
33 mol 173 unq 0 iso 0 dist 7.76856 9.09857 10.6484 5.82174 9.35913 3.74688 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 8.94464 9.50454 9.32503 9.19831 7.88733 4.61184 numMergedOcc 0
35 mol 181 unq 1 iso 0 dist 8.94464 7.15963 13.2985 9.19831 7.88733 9.83826 numMergedOcc 0
36 mol 181 unq 2 iso 0 dist 8.63713 9.50454 8.88398 9.19831 5.76612 4.61184 numMergedOcc 0
37 mol 181 unq 3 iso 0 dist 8.63713 7.15963 4.98009 9.19831 5.76612 9.83826 numMergedOcc 0
38 mol 183 unq 0 iso 0 dist 8.53483 9.09322 7.79648 9.3066 12.2415 6.2342 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 7.45384 8.84116 5.40899 9.22792 14.8878 12.9384 numMergedOcc 0
40 mol 186 unq 1 iso 0 dist 7.45384 8.84116 5.40899 7.85696 12.1704 9.34394 numMergedOcc 0
41 mol 186 unq 2 iso 0 dist 7.45384 8.84116 5.40899 5.00402 10.8153 9.61375 numMergedOcc 0
42 mol 186 unq 3 iso 0 dist 7.45384 8.84116 5.40899 6.17773 7.87503 6.03488 numMergedOcc 0
43 mol 186 unq 4 iso 0 dist 7.45384 8.16369 4.94882 9.22792 14.8878 13.6489 numMergedOcc 0
44 mol 186 unq 5 iso 0 dist 7.45384 8.16369 4.94882 7.85696 12.1704 12.4503 numMergedOcc 0
45 mol 186 unq 6 iso 0 dist 7.45384 8.16369 4.94882 5.00402 10.8153 11.5563 numMergedOcc 0
46 mol 186 unq 7 iso 0 dist 7.45384 8.16369 4.94882 6.17773 7.87503 10.3727 numMergedOcc 0
47 mol 235 unq 0 iso 0 dist 8.38547 8.79626 10.504 9.20504 8.72703 4.5022 numMergedOcc 0
48 mol 235 unq 1 iso 0 dist 8.38547 8.79626 10.504 6.15704 10.5211 4.21867 numMergedOcc 0
49 mol 241 unq 0 iso 0 dist 7.79013 8.18588 7.20238 6.2767 7.9986 11.1708 numMergedOcc 0
50 mol 292 unq 0 iso 0 dist 5.76223 8.44108 9.68222 9.18386 11.4255 7.09754 numMergedOcc 0
