0 mol 7 unq 0 iso 0 dist 9.8603 9.33944 6.22805 16.6461 9.67164 12.2255 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.89666 5.25951 9.23212 6.74026 6.54358 11.3059 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.6396 16.5953 8.23292 10.0172 7.52933 11.7739 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.6396 16.5953 8.23292 5.23233 6.55597 13.0315 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.6396 16.5953 8.23292 13.5673 9.71956 9.6847 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 8.6396 16.5953 8.23292 10.4709 7.07751 9.50063 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 8.6396 16.5953 8.23292 12.2787 8.23761 9.6251 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 8.6396 16.5953 8.23292 13.591 9.49421 10.985 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 8.609 10.8023 8.37503 3.65941 6.74179 10.5203 numMergedOcc 0
9 mol 64 unq 0 iso 0 dist 8.99491 11.1165 9.10915 9.07673 9.86334 6.24019 numMergedOcc 0
10 mol 64 unq 1 iso 0 dist 8.99491 13.6507 8.66921 9.07673 9.86334 7.01498 numMergedOcc 0
11 mol 64 unq 2 iso 0 dist 8.99491 7.89444 5.54343 9.07673 9.86334 5.18166 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 8.04256 5.00567 6.87176 7.21365 7.39665 8.41932 numMergedOcc 0
13 mol 68 unq 1 iso 0 dist 8.04256 5.33771 5.57389 7.21365 7.39665 8.95801 numMergedOcc 0
14 mol 68 unq 2 iso 0 dist 7.51075 12.5342 6.87176 6.56256 7.39665 8.41932 numMergedOcc 0
15 mol 68 unq 3 iso 0 dist 7.51075 9.21957 5.57389 6.56256 7.39665 8.95801 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 6.18305 7.53682 6.30194 4.21749 8.68662 10.7557 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 6.18305 7.53682 6.30194 5.65986 7.4369 11.1632 numMergedOcc 0
18 mol 76 unq 0 iso 0 dist 6.4551 4.00834 4.83274 5.79134 9.6952 8.55291 numMergedOcc 0
19 mol 76 unq 1 iso 0 dist 6.4551 9.6911 7.89214 5.79134 9.6952 13.2696 numMergedOcc 0
20 mol 78 unq 0 iso 0 dist 9.23023 5.00649 9.99029 13.8703 6.85523 14.4224 numMergedOcc 0
21 mol 78 unq 1 iso 0 dist 9.23023 5.00649 9.99029 11.9719 5.77326 14.5688 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 9.65047 15.0981 9.40559 8.55456 9.3948 12.698 numMergedOcc 0
23 mol 95 unq 1 iso 0 dist 9.65047 15.0981 9.40559 3.84879 9.74607 12.5563 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 9.35868 5.58465 7.44784 4.57067 6.04595 6.3642 numMergedOcc 0
25 mol 127 unq 0 iso 0 dist 9.42513 4.42983 7.73139 8.71432 6.08673 4.66329 numMergedOcc 0
26 mol 127 unq 1 iso 0 dist 9.42513 9.88569 6.66607 8.71432 6.08673 7.30158 numMergedOcc 0
27 mol 127 unq 2 iso 0 dist 9.42513 5.88232 8.62711 8.71432 6.08673 9.74982 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 9.60411 10.6313 5.67862 11.6349 9.33924 7.77359 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 9.60411 10.6313 5.67862 3.76211 7.93372 10.8891 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 8.30654 11.7934 7.5984 9.60065 7.36975 14.6282 numMergedOcc 0
31 mol 143 unq 1 iso 0 dist 8.30654 11.7934 7.5984 4.68518 5.40637 7.11802 numMergedOcc 0
32 mol 154 unq 0 iso 0 dist 6.23399 7.10961 9.04554 5.18463 8.33439 5.93188 numMergedOcc 0
33 mol 180 unq 0 iso 0 dist 7.1027 6.40302 7.08676 3.81673 8.82325 5.83274 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 8.10287 7.47443 6.57849 3.50446 8.4844 6.31671 numMergedOcc 0
35 mol 214 unq 0 iso 0 dist 9.51764 18.2005 9.40003 14.8375 7.46481 7.66602 numMergedOcc 0
36 mol 214 unq 1 iso 0 dist 9.51764 4.74203 8.68385 14.8375 7.46481 15.5553 numMergedOcc 0
37 mol 214 unq 2 iso 0 dist 5.36829 4.87713 9.40003 5.47184 7.46481 7.66602 numMergedOcc 0
38 mol 214 unq 3 iso 0 dist 5.36829 13.4762 8.68385 5.47184 7.46481 15.5553 numMergedOcc 0
39 mol 229 unq 0 iso 0 dist 5.57702 5.17118 8.0007 3.72432 6.95201 6.80826 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 8.06771 5.73217 6.96379 9.0675 9.46361 8.41608 numMergedOcc 0
41 mol 264 unq 0 iso 0 dist 6.83408 4.93509 6.80096 3.63202 9.58916 8.11813 numMergedOcc 0
