0 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 4.46394 5.96346 6.86684 6.50001 4.10106 6.54358 6.859 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 5.96976 6.93532 5.30082 9.30877 5.01101 6.42835 5.94982 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 12.1061 8.4051 5.11617 16.6394 10.1698 5.68215 6.61696 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.54519 5.80023 7.36323 6.53276 8.23446 6.38336 9.49646 6.28159 8.87744 4.5711 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.54519 5.80023 7.36323 6.53276 8.23446 6.38336 6.36381 5.50396 7.27472 4.44526 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 9.54519 5.80023 7.36323 6.81998 8.75662 6.7828 6.36381 5.50396 7.27472 9.586 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 6.11056 10.4744 8.86116 11.095 8.60554 8.52463 10.4056 5.11636 7.95042 5.80953 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 8.6396 5.8503 5.04899 4.32173 7.45383 7.33728 5.77745 6.47509 7.05196 5.20109 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 8.88413 5.59268 7.17969 10.7087 7.55264 6.08585 13.4236 5.68041 9.48085 6.53269 numMergedOcc 0
9 mol 25 unq 2 iso 0 dist 7.63928 6.17631 6.03987 9.78075 6.85556 5.68392 12.3312 5.86705 7.6114 6.29797 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 7.43001 6.65501 4.4057 8.3505 3.9764 5.10496 4.62494 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 7.43001 6.65501 7.42446 8.3505 3.9764 5.92242 4.62494 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 5.9747 11.3628 6.10456 7.43001 6.65501 9.67482 14.2657 10.4782 7.54889 8.46823 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 5.9747 11.3628 6.10456 7.43001 6.65501 9.67482 8.3505 3.9764 5.2571 4.62494 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 4.50572 6.88489 5.08437 9.5305 6.65501 4.4057 8.32269 3.9764 5.10496 4.62494 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 4.50572 9.63267 6.48948 9.5305 6.65501 7.42446 8.32269 3.9764 5.92242 4.62494 numMergedOcc 0
16 mol 98 unq 6 iso 0 dist 4.50572 9.82583 6.10456 9.5305 6.65501 9.67482 14.7607 10.4782 7.54889 8.46823 numMergedOcc 0
17 mol 98 unq 7 iso 0 dist 4.50572 9.82583 6.10456 9.5305 6.65501 9.67482 8.32269 3.9764 5.2571 4.62494 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 8.3164 11.5656 8.69985 4.81814 7.80523 7.74599 9.94704 5.00433 8.52024 7.56755 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 11.6678 7.78652 6.48978 12.027 4.78563 5.37047 5.06564 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 8.30654 11.3469 5.99315 11.347 8.91301 5.20762 12.027 4.78563 5.37047 7.5373 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 9.55777 16.4881 7.21333 12.979 7.67576 7.75656 15.2698 6.84862 5.56538 8.43195 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 9.55777 16.4881 7.21333 12.979 7.67576 7.75656 16.9252 9.53117 7.48954 8.23406 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 4.21811 6.02296 6.35849 13.0848 5.83175 5.23634 9.18728 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 6.36084 9.40808 4.9377 12.6048 5.10213 6.71524 9.9183 numMergedOcc 0
