0 mol 11 unq 0 iso 0 dist 5.95165 6.50001 4.10106 3.77561 4.61088 6.54358 4.46394 5.96346 6.859 6.86684 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 6.53276 8.23446 4.44526 6.38336 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 6.81998 8.75662 9.586 6.7828 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 5.8503 11.9561 7.05196 4.32173 6.16347 5.20109 7.33728 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 4.32173 7.45383 5.20109 7.33728 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.7522 9.90986 7.11305 14.3129 10.2542 9.12845 14.288 11.9684 6.81793 6.04762 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 9.42791 12.4242 8.23026 13.5835 14.1196 8.77077 6.5901 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 11.9783 11.3043 9.84703 7.94178 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 7.43001 6.65501 4.62494 4.4057 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 11.9783 11.3043 9.84703 15.7178 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 7.43001 6.65501 4.62494 7.42446 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 11.9783 11.3043 9.84703 9.85543 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 7.43001 6.65501 4.62494 9.67482 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 5.9747 8.3505 3.9764 13.9599 10.1136 8.7497 11.9783 11.3043 9.84703 7.28361 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 5.9747 8.3505 3.9764 13.9599 10.1136 8.7497 7.43001 6.65501 4.62494 12.0974 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 14.8479 13.1098 9.89083 4.81814 7.80523 7.56755 10.0688 numMergedOcc 0
16 mol 109 unq 1 iso 0 dist 8.3164 9.94704 5.00433 11.5656 8.69985 8.52024 4.81814 7.80523 7.56755 7.74599 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.82535 9.10803 9.20252 12.7349 15.6571 9.77575 6.49348 10.4034 6.18678 6.36778 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 6.18763 9.10803 9.85023 12.7349 13.4378 9.77575 6.49348 8.00003 6.18678 6.36778 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 8.44385 9.10803 12.4829 12.7349 19.9505 9.77575 6.49348 13.7362 6.18678 6.36778 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 5.63005 9.10803 8.84069 12.7349 15.7043 9.77575 6.49348 9.77873 6.18678 6.36778 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 6.43966 10.1333 5.51197 4.92611 7.58957 6.34626 4.92472 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 7.26897 5.06116 5.68978 5.5065 11.7355 8.33439 9.10645 14.249 8.71789 7.51976 numMergedOcc 0
23 mol 154 unq 1 iso 0 dist 7.26897 5.06116 5.68978 5.5065 11.7355 8.33439 4.02111 9.23461 5.2693 7.23684 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 4.44292 7.25009 7.10286 10.4606 10.7829 8.97626 8.61147 11.1616 9.16358 5.50031 numMergedOcc 0
25 mol 155 unq 1 iso 0 dist 4.44292 7.25009 7.10286 10.4606 10.7829 8.97626 5.45915 6.53347 9.24038 6.89781 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 8.96988 6.52441 10.6555 11.7795 16.9818 7.2793 6.33168 14.1868 6.88127 10.5063 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 6.31508 10.103 6.99769 4.12728 11.9653 9.25617 5.91654 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 6.31508 10.103 6.99769 7.13796 14.5387 9.05276 9.14278 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 4.12728 11.9653 9.25617 7.38836 numMergedOcc 0
30 mol 224 unq 3 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 7.13796 14.5387 9.05276 12.4832 numMergedOcc 0
31 mol 224 unq 4 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 4.12728 11.9653 9.25617 10.6079 numMergedOcc 0
32 mol 224 unq 5 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 7.13796 14.5387 9.05276 11.5752 numMergedOcc 0
33 mol 224 unq 6 iso 0 dist 8.46129 6.32334 5.76843 6.31508 6.65832 6.99769 4.12728 10.8507 9.25617 5.91654 numMergedOcc 0
34 mol 224 unq 7 iso 0 dist 8.46129 6.32334 5.76843 6.31508 6.65832 6.99769 7.13796 13.4196 9.05276 9.14278 numMergedOcc 0
35 mol 224 unq 8 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 4.12728 10.8507 9.25617 7.38836 numMergedOcc 0
36 mol 224 unq 9 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 7.13796 13.4196 9.05276 12.4832 numMergedOcc 0
37 mol 224 unq 10 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 4.12728 10.8507 9.25617 10.6079 numMergedOcc 0
38 mol 224 unq 11 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 7.13796 13.4196 9.05276 11.5752 numMergedOcc 0
39 mol 224 unq 12 iso 0 dist 9.2053 6.32334 4.54188 6.31508 10.9745 6.99769 4.12728 12.9355 9.25617 5.91654 numMergedOcc 0
40 mol 224 unq 13 iso 0 dist 9.2053 6.32334 4.54188 6.31508 10.9745 6.99769 7.13796 12.8311 9.05276 9.14278 numMergedOcc 0
41 mol 224 unq 14 iso 0 dist 9.2053 6.32334 4.54188 5.72088 10.5128 8.79428 4.12728 12.9355 9.25617 7.38836 numMergedOcc 0
42 mol 224 unq 15 iso 0 dist 9.2053 6.32334 4.54188 5.72088 10.5128 8.79428 7.13796 12.8311 9.05276 12.4832 numMergedOcc 0
43 mol 224 unq 16 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 4.12728 12.9355 9.25617 10.6079 numMergedOcc 0
44 mol 224 unq 17 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 7.13796 12.8311 9.05276 11.5752 numMergedOcc 0
45 mol 274 unq 0 iso 0 dist 6.55855 4.97796 8.87855 4.56913 10.7806 6.4611 6.70266 9.45514 9.65868 9.5468 numMergedOcc 0
46 mol 274 unq 1 iso 0 dist 6.55855 4.97796 8.87855 4.56913 10.7806 6.4611 5.15747 6.39866 8.60027 6.70925 numMergedOcc 0
47 mol 274 unq 2 iso 0 dist 9.52894 4.97796 13.0867 4.56913 13.5896 6.4611 6.70266 7.1729 9.65868 9.5468 numMergedOcc 0
48 mol 274 unq 3 iso 0 dist 9.52894 4.97796 13.0867 4.56913 13.5896 6.4611 5.15747 10.6913 8.60027 6.70925 numMergedOcc 0
49 mol 274 unq 4 iso 0 dist 9.71801 7.15079 11.4471 4.37547 13.9359 9.30212 9.95931 15.461 7.77765 9.5468 numMergedOcc 0
50 mol 292 unq 0 iso 0 dist 9.64124 5.72473 6.80049 8.04474 11.448 7.20674 6.08322 14.7209 8.62162 8.83082 numMergedOcc 0
51 mol 292 unq 1 iso 0 dist 9.30668 5.72473 7.8414 8.04474 8.2734 7.20674 6.08322 14.0973 8.62162 8.83082 numMergedOcc 0
