0 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 6.50001 4.10106 6.54358 4.46394 5.96346 6.86684 6.859 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 9.30877 5.01101 6.42835 5.96976 6.93532 5.30082 5.94982 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 14.1706 4.82629 6.6219 19.765 11.3566 6.56748 9.73647 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 16.6394 10.1698 5.68215 19.765 11.3566 6.56748 7.26334 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.54519 13.2653 5.54419 16.6394 10.1698 5.68215 16.8563 9.83002 4.50066 6.19899 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 9.54519 13.2653 5.54419 16.6394 10.1698 5.68215 12.1061 8.4051 5.11617 6.61696 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 9.54519 5.80023 7.36323 9.49646 6.28159 8.87744 6.53276 8.23446 6.38336 4.5711 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 9.54519 5.80023 7.36323 6.36381 5.50396 7.27472 6.53276 8.23446 6.38336 4.44526 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 9.54519 5.80023 7.36323 6.36381 5.50396 7.27472 6.81998 8.75662 6.7828 9.586 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 6.11056 10.4744 8.86116 10.4056 5.11636 7.95042 11.095 8.60554 8.52463 5.80953 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 8.6396 5.8503 5.04899 5.77745 6.47509 7.05196 4.32173 7.45383 7.33728 5.20109 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 8.88413 5.59268 7.17969 13.4236 5.68041 9.48085 10.7087 7.55264 6.08585 6.53269 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 8.88413 5.59268 7.17969 13.4236 5.68041 9.48085 12.4634 10.3593 9.15781 9.81524 numMergedOcc 0
13 mol 25 unq 3 iso 0 dist 9.87281 6.17631 7.31767 12.3312 6.10919 7.6114 9.78075 9.79094 5.68392 6.29797 numMergedOcc 0
14 mol 25 unq 4 iso 0 dist 7.63928 6.17631 6.03987 12.3312 5.86705 7.6114 9.78075 6.85556 5.68392 6.29797 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 8.3505 3.9764 5.10496 11.9783 11.3043 7.94178 9.84703 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.9747 4.75138 5.08437 8.3505 3.9764 5.10496 7.43001 6.65501 4.4057 4.62494 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 5.9747 10.4417 6.48948 8.3505 3.9764 5.92242 11.9783 11.3043 15.7178 9.84703 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 5.9747 10.4417 6.48948 8.3505 3.9764 5.92242 7.43001 6.65501 7.42446 4.62494 numMergedOcc 0
19 mol 98 unq 4 iso 0 dist 5.9747 11.3628 6.10456 14.2657 10.4782 7.54889 7.43001 6.65501 9.67482 8.46823 numMergedOcc 0
20 mol 98 unq 5 iso 0 dist 5.9747 11.3628 6.10456 14.2657 10.4782 7.54889 11.9783 11.3043 9.85543 9.25444 numMergedOcc 0
21 mol 98 unq 6 iso 0 dist 5.9747 11.3628 6.10456 8.3505 3.9764 5.2571 11.9783 11.3043 9.85543 9.84703 numMergedOcc 0
22 mol 98 unq 7 iso 0 dist 5.9747 11.3628 6.10456 8.3505 3.9764 5.2571 7.43001 6.65501 9.67482 4.62494 numMergedOcc 0
23 mol 98 unq 8 iso 0 dist 4.50572 6.88489 5.08437 8.32269 3.9764 5.10496 13.4604 11.3043 7.94178 9.84703 numMergedOcc 0
24 mol 98 unq 9 iso 0 dist 4.50572 6.88489 5.08437 8.32269 3.9764 5.10496 9.5305 6.65501 4.4057 4.62494 numMergedOcc 0
25 mol 98 unq 10 iso 0 dist 4.50572 9.63267 6.48948 8.32269 3.9764 5.92242 13.4604 11.3043 15.7178 9.84703 numMergedOcc 0
26 mol 98 unq 11 iso 0 dist 4.50572 9.63267 6.48948 8.32269 3.9764 5.92242 9.5305 6.65501 7.42446 4.62494 numMergedOcc 0
27 mol 98 unq 12 iso 0 dist 4.50572 9.82583 6.10456 14.7607 10.4782 7.54889 9.5305 6.65501 9.67482 8.46823 numMergedOcc 0
28 mol 98 unq 13 iso 0 dist 4.50572 9.82583 6.10456 14.7607 10.4782 7.54889 13.4604 11.3043 9.85543 9.25444 numMergedOcc 0
29 mol 98 unq 14 iso 0 dist 4.50572 9.82583 6.10456 8.32269 3.9764 5.2571 13.4604 11.3043 9.85543 9.84703 numMergedOcc 0
30 mol 98 unq 15 iso 0 dist 4.50572 9.82583 6.10456 8.32269 3.9764 5.2571 9.5305 6.65501 9.67482 4.62494 numMergedOcc 0
31 mol 109 unq 0 iso 0 dist 8.3164 11.5656 8.69985 9.94704 5.00433 8.52024 4.81814 7.80523 7.74599 7.56755 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 5.86531 9.73435 8.00618 13.1452 15.0115 8.77023 12.6435 10.9061 4.54648 8.83732 numMergedOcc 0
33 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 12.027 4.78563 5.37047 11.6678 7.78652 6.48978 5.06564 numMergedOcc 0
34 mol 143 unq 1 iso 0 dist 8.30654 11.3469 5.99315 12.027 4.78563 5.37047 11.347 8.91301 5.20762 7.5373 numMergedOcc 0
35 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 11.5835 11.6011 7.02548 14.0067 16.4813 7.08726 8.86449 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 9.55777 16.4881 7.21333 15.2698 6.84862 5.56538 12.979 7.67576 7.75656 8.43195 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 9.55777 16.4881 7.21333 16.9252 9.53117 7.48954 12.979 7.67576 7.75656 8.23406 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 8.39002 5.72088 6.57273 6.32334 7.05804 8.79428 4.12728 11.9653 7.38836 9.25617 numMergedOcc 0
39 mol 224 unq 1 iso 0 dist 8.39002 5.72088 6.57273 6.32334 7.05804 8.79428 7.13796 14.5387 12.4832 9.05276 numMergedOcc 0
40 mol 224 unq 2 iso 0 dist 8.39002 6.51315 5.78342 6.32334 7.05804 6.8692 4.12728 11.9653 10.6079 9.25617 numMergedOcc 0
41 mol 224 unq 3 iso 0 dist 8.39002 6.51315 5.78342 6.32334 7.05804 6.8692 7.13796 14.5387 11.5752 9.05276 numMergedOcc 0
42 mol 224 unq 4 iso 0 dist 8.46129 6.31508 6.65832 6.32334 5.76843 6.99769 4.12728 10.8507 5.91654 9.25617 numMergedOcc 0
43 mol 224 unq 5 iso 0 dist 8.46129 6.31508 6.65832 6.32334 5.76843 6.99769 7.13796 13.4196 9.14278 9.05276 numMergedOcc 0
44 mol 224 unq 6 iso 0 dist 8.46129 5.72088 6.60589 6.32334 5.76843 8.79428 4.12728 10.8507 7.38836 9.25617 numMergedOcc 0
45 mol 224 unq 7 iso 0 dist 8.46129 5.72088 6.60589 6.32334 5.76843 8.79428 7.13796 13.4196 12.4832 9.05276 numMergedOcc 0
46 mol 224 unq 8 iso 0 dist 8.46129 6.51315 9.16166 6.32334 5.76843 6.8692 4.12728 10.8507 10.6079 9.25617 numMergedOcc 0
47 mol 224 unq 9 iso 0 dist 8.46129 6.51315 9.16166 6.32334 5.76843 6.8692 7.13796 13.4196 11.5752 9.05276 numMergedOcc 0
48 mol 224 unq 10 iso 0 dist 9.2053 6.51315 5.81334 6.32334 4.54188 6.8692 4.12728 12.9355 10.6079 9.25617 numMergedOcc 0
49 mol 224 unq 11 iso 0 dist 9.2053 6.51315 5.81334 6.32334 4.54188 6.8692 7.13796 12.8311 11.5752 9.05276 numMergedOcc 0
50 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 13.0848 5.83175 5.23634 4.21811 6.02296 6.35849 9.18728 numMergedOcc 0
51 mol 227 unq 1 iso 0 dist 9.07872 9.9474 7.09863 13.0848 5.83175 5.23634 15.1769 9.74265 10.9607 8.91971 numMergedOcc 0
52 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 12.6048 5.10213 6.71524 6.36084 9.40808 4.9377 9.9183 numMergedOcc 0
53 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 14.1679 10.6736 6.73665 14.3065 11.308 11.169 8.95511 numMergedOcc 0
54 mol 239 unq 1 iso 0 dist 6.44212 7.97883 6.16342 14.1679 10.6736 6.73665 13.52 10.3435 5.88931 5.85002 numMergedOcc 0
55 mol 292 unq 0 iso 0 dist 9.30668 8.04474 8.2734 5.72473 7.8414 7.20674 6.08322 14.0973 8.83082 8.62162 numMergedOcc 0
