0 mol 11 unq 0 iso 0 dist 4.30695 6.35398 7.0964 7.27724 7.56871 12.9286 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.35398 4.30695 7.0964 7.85924 9.09091 11.7385 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.01548 7.45383 12.6805 4.70708 6.63839 10.7875 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.95572 7.38677 6.36037 9.32974 6.72712 12.1654 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.95572 7.38677 6.36037 6.99832 5.39745 10.8154 numMergedOcc 0
5 mol 126 unq 0 iso 0 dist 6.29233 5.42406 4.32209 5.15767 5.14819 6.84245 numMergedOcc 0
6 mol 126 unq 1 iso 0 dist 5.42406 6.29233 4.32209 5.15767 6.84245 5.14819 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 8.70296 9.25558 14.5627 7.90484 9.2235 17.1418 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.22232 9.22661 18.2432 12.0863 8.21165 20.7518 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.22232 7.56378 15.4484 12.0863 8.21165 17.6003 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 9.22661 9.22232 18.2432 4.68409 6.51868 12.3267 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 9.22661 7.56378 7.33253 4.68409 6.51868 7.34698 numMergedOcc 0
12 mol 133 unq 4 iso 0 dist 7.56378 9.22232 15.4484 4.68409 7.34698 12.3267 numMergedOcc 0
13 mol 133 unq 5 iso 0 dist 7.56378 9.22661 7.33253 4.68409 7.34698 6.51868 numMergedOcc 0
14 mol 135 unq 0 iso 0 dist 5.62052 7.90563 6.35752 4.91422 9.15377 12.128 numMergedOcc 0
15 mol 135 unq 1 iso 0 dist 7.90563 5.62052 6.35752 7.66205 7.12936 10.2898 numMergedOcc 0
16 mol 135 unq 2 iso 0 dist 7.85645 8.97655 6.35752 6.35261 9.15377 12.128 numMergedOcc 0
17 mol 135 unq 3 iso 0 dist 8.97655 7.85645 6.35752 6.69568 7.12936 10.2898 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 7.78652 8.91301 4.30566 10.0989 6.97487 10.3291 numMergedOcc 0
19 mol 143 unq 1 iso 0 dist 7.78652 8.91301 4.30566 6.01455 6.46089 10.1154 numMergedOcc 0
20 mol 148 unq 0 iso 0 dist 9.91993 6.22055 4.32771 10.2478 8.73468 9.73927 numMergedOcc 0
21 mol 148 unq 1 iso 0 dist 9.99156 8.18085 4.32771 6.84291 8.73468 9.73927 numMergedOcc 0
22 mol 148 unq 2 iso 0 dist 6.22055 9.91993 4.32771 10.2478 9.73927 8.73468 numMergedOcc 0
23 mol 148 unq 3 iso 0 dist 8.18085 9.99156 4.32771 6.84291 9.73927 8.73468 numMergedOcc 0
24 mol 150 unq 0 iso 0 dist 9.96691 6.14675 4.39943 10.2318 8.73558 9.66129 numMergedOcc 0
25 mol 150 unq 1 iso 0 dist 9.96691 9.24244 5.93611 10.2318 8.73558 12.6576 numMergedOcc 0
26 mol 150 unq 2 iso 0 dist 9.8656 7.94889 4.39943 6.79619 8.73558 9.66129 numMergedOcc 0
27 mol 150 unq 3 iso 0 dist 6.14675 9.96691 4.39943 10.2318 9.66129 8.73558 numMergedOcc 0
28 mol 150 unq 4 iso 0 dist 6.14675 9.24244 4.30207 10.2318 9.66129 12.6576 numMergedOcc 0
29 mol 150 unq 5 iso 0 dist 7.94889 9.8656 4.39943 6.79619 9.66129 8.73558 numMergedOcc 0
30 mol 156 unq 0 iso 0 dist 7.30357 8.61587 6.12113 5.07967 7.30946 11.3161 numMergedOcc 0
31 mol 156 unq 1 iso 0 dist 9.44367 9.47433 16.7026 7.29758 5.81122 13.7525 numMergedOcc 0
32 mol 159 unq 0 iso 0 dist 9.17787 8.4858 7.73341 6.49376 6.72852 8.52082 numMergedOcc 0
33 mol 159 unq 1 iso 0 dist 8.4858 9.17787 7.73341 4.57561 5.9032 10.4588 numMergedOcc 0
34 mol 159 unq 2 iso 0 dist 8.4858 9.17787 7.73341 6.49376 8.52082 6.72852 numMergedOcc 0
35 mol 174 unq 0 iso 0 dist 9.87122 8.87569 4.17687 8.37744 7.47932 10.1869 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 6.59025 6.46704 9.87773 7.07409 6.32777 11.5642 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 7.99195 9.72611 12.1167 5.86342 9.06217 10.3766 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 7.99195 9.72611 12.1167 9.14057 7.13252 10.7723 numMergedOcc 0
39 mol 181 unq 3 iso 0 dist 5.9176 6.41453 9.53592 9.60512 5.97685 13.5221 numMergedOcc 0
40 mol 181 unq 4 iso 0 dist 5.9176 6.41453 9.53592 13.3389 8.9289 14.5372 numMergedOcc 0
41 mol 188 unq 0 iso 0 dist 8.10214 7.14503 9.01338 12.0548 9.33696 11.4648 numMergedOcc 0
42 mol 194 unq 0 iso 0 dist 6.72379 8.29382 6.7294 5.38925 9.3402 13.132 numMergedOcc 0
43 mol 227 unq 0 iso 0 dist 5.41321 7.43071 11.362 6.43754 7.57454 12.2922 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 7.32499 6.30154 10.0708 5.9221 7.43663 11.6166 numMergedOcc 0
45 mol 234 unq 1 iso 0 dist 7.32499 6.30154 10.0708 13.2297 7.94068 16.7407 numMergedOcc 0
46 mol 235 unq 0 iso 0 dist 6.95126 6.21292 10.2834 6.43692 7.95766 12.1942 numMergedOcc 0
47 mol 237 unq 0 iso 0 dist 7.41478 9.20822 8.65228 6.56344 5.98039 11.5576 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 7.57812 8.69104 6.25098 5.11565 8.90076 6.62002 numMergedOcc 0
49 mol 238 unq 1 iso 0 dist 7.57812 8.69104 6.25098 13.0842 6.87131 9.69818 numMergedOcc 0
50 mol 238 unq 2 iso 0 dist 7.57812 8.69104 6.25098 13.171 8.09718 6.73446 numMergedOcc 0
51 mol 238 unq 3 iso 0 dist 8.69104 7.57812 6.25098 5.11565 6.62002 8.90076 numMergedOcc 0
52 mol 238 unq 4 iso 0 dist 8.69104 7.57812 6.25098 13.0842 9.69818 6.87131 numMergedOcc 0
53 mol 238 unq 5 iso 0 dist 8.69104 7.57812 6.25098 13.171 6.73446 8.09718 numMergedOcc 0
