0 mol 11 unq 0 iso 0 dist 6.50001 3.77561 6.54358 4.46394 6.859 6.86684 5.95165 4.10106 4.61088 5.96346 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.36381 5.80023 7.27472 6.53276 4.44526 6.38336 9.54519 5.50396 7.36323 8.23446 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.36381 5.80023 7.27472 6.81998 9.586 6.7828 9.54519 5.50396 7.36323 8.75662 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 5.77745 5.8503 7.05196 4.32173 5.20109 7.33728 8.6396 6.47509 5.04899 7.45383 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.43496 9.56471 7.06939 15.7834 6.87506 9.44576 9.96037 4.3481 9.33898 9.75237 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.33961 12.7318 7.54889 11.2155 9.25444 9.85543 14.4342 10.4782 6.10456 11.3043 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 5.33961 12.7318 7.54889 9.96465 8.46823 9.67482 14.4342 10.4782 6.10456 6.65501 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 8.3505 4.75138 5.10496 11.9783 9.84703 7.94178 5.9747 3.9764 5.08437 11.3043 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 8.3505 4.75138 5.10496 7.43001 4.62494 4.4057 5.9747 3.9764 5.08437 6.65501 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 8.3505 10.4417 5.92242 11.9783 9.84703 15.7178 5.9747 3.9764 6.48948 11.3043 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 8.3505 10.4417 5.92242 7.43001 4.62494 7.42446 5.9747 3.9764 6.48948 6.65501 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 8.3505 11.3628 5.2571 11.9783 9.84703 9.85543 5.9747 3.9764 6.10456 11.3043 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 8.3505 11.3628 5.2571 7.43001 4.62494 9.67482 5.9747 3.9764 6.10456 6.65501 numMergedOcc 0
13 mol 98 unq 8 iso 0 dist 9.29816 14.676 7.54889 18.3829 9.25444 9.85543 16.5524 10.4782 6.10456 11.3043 numMergedOcc 0
14 mol 98 unq 9 iso 0 dist 9.29816 14.676 7.54889 13.7832 8.46823 9.67482 16.5524 10.4782 6.10456 6.65501 numMergedOcc 0
15 mol 98 unq 10 iso 0 dist 5.08983 7.1452 7.54889 9.51607 9.25444 9.85543 12.3884 10.4782 6.10456 11.3043 numMergedOcc 0
16 mol 98 unq 11 iso 0 dist 5.08983 7.1452 7.54889 12.5752 8.46823 9.67482 12.3884 10.4782 6.10456 6.65501 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 9.46621 10.6893 8.52024 4.03135 7.56755 7.74599 11.1103 5.00433 8.69985 7.80523 numMergedOcc 0
18 mol 109 unq 1 iso 0 dist 9.94704 11.5656 8.52024 4.81814 7.56755 7.74599 8.3164 5.00433 8.69985 7.80523 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 6.53559 6.43966 5.51197 4.92611 6.34626 4.92472 10.2333 12.1739 8.54584 12.0256 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 8.09774 5.56946 5.51197 6.15789 6.34626 4.92472 13.5311 12.1739 8.54584 12.0256 numMergedOcc 0
21 mol 155 unq 0 iso 0 dist 7.25009 10.4606 8.97626 8.61147 9.16358 5.50031 13.0657 9.16779 7.46303 12.2416 numMergedOcc 0
22 mol 155 unq 1 iso 0 dist 7.25009 10.4606 8.97626 8.61147 9.16358 5.50031 10.6076 4.91785 6.43582 7.92304 numMergedOcc 0
23 mol 155 unq 2 iso 0 dist 7.25009 10.4606 8.97626 5.45915 9.24038 6.89781 13.0657 9.16779 7.46303 10.9606 numMergedOcc 0
24 mol 155 unq 3 iso 0 dist 7.25009 10.4606 8.97626 5.45915 9.24038 6.89781 10.6076 4.91785 6.43582 10.3161 numMergedOcc 0
25 mol 167 unq 0 iso 0 dist 6.48993 7.91498 7.02548 4.43501 8.86449 7.08726 16.5098 11.6011 9.87651 16.4813 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 6.32334 6.31508 6.99769 4.12728 9.25617 5.91654 8.46129 5.76843 6.65832 10.8507 numMergedOcc 0
27 mol 224 unq 1 iso 0 dist 6.32334 6.31508 6.99769 7.13796 9.05276 9.14278 8.46129 5.76843 6.65832 13.4196 numMergedOcc 0
28 mol 224 unq 2 iso 0 dist 6.32334 5.72088 8.79428 4.12728 9.25617 7.38836 8.39002 7.05804 6.57273 11.9653 numMergedOcc 0
29 mol 224 unq 3 iso 0 dist 6.32334 5.72088 8.79428 4.12728 9.25617 7.38836 8.46129 5.76843 6.60589 10.8507 numMergedOcc 0
30 mol 224 unq 4 iso 0 dist 6.32334 5.72088 8.79428 7.13796 9.05276 12.4832 8.39002 7.05804 6.57273 14.5387 numMergedOcc 0
31 mol 224 unq 5 iso 0 dist 6.32334 5.72088 8.79428 7.13796 9.05276 12.4832 8.46129 5.76843 6.60589 13.4196 numMergedOcc 0
32 mol 224 unq 6 iso 0 dist 6.32334 6.51315 6.8692 4.12728 9.25617 10.6079 8.39002 7.05804 5.78342 11.9653 numMergedOcc 0
33 mol 224 unq 7 iso 0 dist 6.32334 6.51315 6.8692 4.12728 9.25617 10.6079 8.46129 5.76843 9.16166 10.8507 numMergedOcc 0
34 mol 224 unq 8 iso 0 dist 6.32334 6.51315 6.8692 4.12728 9.25617 10.6079 9.2053 4.54188 5.81334 12.9355 numMergedOcc 0
35 mol 224 unq 9 iso 0 dist 6.32334 6.51315 6.8692 7.13796 9.05276 11.5752 8.39002 7.05804 5.78342 14.5387 numMergedOcc 0
36 mol 224 unq 10 iso 0 dist 6.32334 6.51315 6.8692 7.13796 9.05276 11.5752 8.46129 5.76843 9.16166 13.4196 numMergedOcc 0
37 mol 224 unq 11 iso 0 dist 6.32334 6.51315 6.8692 7.13796 9.05276 11.5752 9.2053 4.54188 5.81334 12.8311 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 7.63381 9.86326 6.73665 15.9388 8.95511 11.169 13.2218 10.6736 6.16342 11.308 numMergedOcc 0
39 mol 239 unq 1 iso 0 dist 7.63381 9.86326 6.73665 4.22981 5.85002 5.88931 13.2218 10.6736 6.16342 10.3435 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 5.72473 8.04474 7.20674 6.08322 8.62162 8.83082 9.30668 7.8414 8.2734 14.0973 numMergedOcc 0
