0 mol 11 unq 0 iso 0 dist 6.50001 3.77561 6.54358 5.95165 4.10106 4.61088 4.46394 6.859 6.86684 5.96346 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.36381 5.80023 7.27472 9.54519 5.50396 7.36323 12.1061 9.84204 13.2229 8.4051 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.36381 5.80023 7.27472 9.54519 5.50396 7.36323 6.53276 4.44526 6.38336 8.23446 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.36381 5.80023 7.27472 9.54519 5.50396 7.36323 6.81998 9.586 6.7828 8.75662 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 5.77745 5.8503 7.05196 8.6396 6.47509 5.04899 4.32173 5.20109 7.33728 7.45383 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 5.77745 5.8503 7.05196 8.6396 6.47509 5.04899 16.0077 12.506 13.9331 9.01548 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 8.27137 5.59268 4.79873 10.5993 10.2864 7.57578 10.7087 9.35791 6.08585 8.50222 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 8.27137 5.59268 4.79873 8.88413 11.4148 7.17969 10.7087 9.35791 6.08585 7.55264 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.43496 9.56471 7.06939 9.96037 4.3481 9.33898 13.962 12.7637 17.5889 8.91313 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.43496 9.56471 7.06939 9.96037 4.3481 9.33898 12.3441 11.1106 10.8304 8.16392 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.33961 12.7318 7.54889 14.4342 10.4782 6.10456 9.96465 8.46823 9.67482 6.65501 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 8.3505 4.75138 5.10496 5.9747 3.9764 5.08437 7.43001 4.62494 4.4057 6.65501 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 8.3505 10.4417 5.92242 5.9747 3.9764 6.48948 7.43001 4.62494 7.42446 6.65501 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 8.3505 11.3628 5.2571 5.9747 3.9764 6.10456 7.43001 4.62494 9.67482 6.65501 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 7.34638 10.4417 7.02507 5.9747 7.03983 6.48948 7.43001 9.84743 7.42446 6.65501 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 6.0995 9.63267 7.02507 4.50572 7.03983 6.48948 9.5305 9.84743 7.42446 6.65501 numMergedOcc 0
16 mol 98 unq 6 iso 0 dist 9.29816 14.676 7.54889 16.5524 10.4782 6.10456 13.7832 8.46823 9.67482 6.65501 numMergedOcc 0
17 mol 98 unq 7 iso 0 dist 5.08983 7.1452 7.54889 12.3884 10.4782 6.10456 12.5752 8.46823 9.67482 6.65501 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 9.46621 10.6893 8.52024 11.1103 5.00433 8.69985 4.03135 7.56755 7.74599 7.80523 numMergedOcc 0
19 mol 109 unq 1 iso 0 dist 9.94704 11.5656 8.52024 8.3164 5.00433 8.69985 4.81814 7.56755 7.74599 7.80523 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 9.10434 5.6098 9.27976 6.31125 3.98662 8.40312 11.127 10.0568 7.7567 9.90168 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 8.78303 11.9294 9.33094 16.0579 12.3479 6.49416 17.6193 10.1824 9.87376 7.80532 numMergedOcc 0
22 mol 155 unq 0 iso 0 dist 7.25009 10.4606 8.97626 10.6076 4.91785 6.43582 8.61147 9.16358 5.50031 7.92304 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 7.63381 9.86326 6.73665 13.2218 10.6736 6.16342 11.1413 10.0627 4.30299 8.84636 numMergedOcc 0
