0 mol 11 unq 0 iso 0 dist 5.95165 4.46394 5.96346 6.50001 4.10106 6.859 3.77561 4.61088 6.86684 6.54358 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.36377 5.96976 6.93532 9.30877 5.01101 5.94982 12.4209 11.6856 6.51133 7.65889 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.36377 5.96976 6.93532 9.30877 5.01101 5.94982 4.78943 5.05803 5.30082 6.42835 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.54519 12.1061 8.4051 16.6394 10.1698 6.61696 13.2653 5.54419 5.11617 5.68215 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.54519 12.1061 8.4051 13.8227 13.6174 5.80953 18.4381 15.5324 8.52463 7.95042 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 9.54519 6.53276 8.23446 9.49646 6.28159 4.5711 5.80023 7.36323 6.38336 8.87744 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 9.54519 6.53276 8.23446 6.36381 5.50396 4.44526 5.80023 7.36323 6.38336 7.27472 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 9.54519 6.81998 8.75662 6.36381 5.50396 9.586 5.80023 7.36323 6.7828 7.27472 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 6.11056 11.095 8.60554 17.6238 14.8647 6.61696 14.0772 13.2433 5.11617 5.68215 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 6.11056 11.095 8.60554 10.4056 5.11636 5.80953 10.4744 8.86116 8.52463 7.95042 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 6.11056 6.66757 9.44691 15.2305 14.4081 9.586 13.3975 15.5296 6.7828 7.27472 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 8.40051 4.32173 6.16347 5.77745 5.63212 5.20109 5.8503 11.9561 7.33728 7.05196 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 8.6396 4.32173 7.45383 5.77745 6.47509 5.20109 5.8503 5.04899 7.33728 7.05196 numMergedOcc 0
13 mol 25 unq 2 iso 0 dist 8.88413 10.7087 7.55264 16.4805 14.9982 9.16515 16.046 12.8117 5.77929 6.55597 numMergedOcc 0
14 mol 25 unq 3 iso 0 dist 8.88413 10.7087 7.55264 18.5622 14.1251 9.82987 16.046 12.8117 5.77929 7.07751 numMergedOcc 0
15 mol 25 unq 4 iso 0 dist 8.88413 10.7087 7.55264 13.4236 5.68041 6.53269 5.59268 7.17969 6.08585 9.48085 numMergedOcc 0
16 mol 25 unq 5 iso 0 dist 8.88413 10.7087 7.55264 13.4236 5.68041 6.53269 16.046 12.8117 5.77929 9.49421 numMergedOcc 0
17 mol 25 unq 6 iso 0 dist 7.63928 9.78075 6.85556 12.3312 5.86705 6.29797 6.17631 6.03987 5.68392 7.6114 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 7.5819 4.00923 7.52354 10.9628 6.95017 8.93769 13.8701 13.2315 10.9681 7.13008 numMergedOcc 0
19 mol 98 unq 0 iso 0 dist 5.9747 7.43001 6.65501 14.2657 10.4782 8.46823 22.4143 17.4071 16.4267 9.64383 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 5.9747 7.43001 6.65501 14.2657 10.4782 8.46823 11.3628 6.10456 9.67482 7.54889 numMergedOcc 0
21 mol 98 unq 2 iso 0 dist 5.9747 7.43001 6.65501 14.2657 10.4782 8.46823 13.9599 10.1136 12.0974 7.78931 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 5.9747 7.43001 6.65501 8.3505 3.9764 4.62494 4.75138 5.08437 4.4057 5.10496 numMergedOcc 0
23 mol 98 unq 4 iso 0 dist 5.9747 7.43001 6.65501 8.3505 3.9764 4.62494 10.4417 6.48948 7.42446 5.92242 numMergedOcc 0
24 mol 98 unq 5 iso 0 dist 5.9747 7.43001 6.65501 8.3505 3.9764 4.62494 11.3628 6.10456 9.67482 5.2571 numMergedOcc 0
25 mol 98 unq 6 iso 0 dist 5.9747 7.43001 6.65501 8.3505 3.9764 4.62494 13.9599 10.1136 12.0974 8.7497 numMergedOcc 0
26 mol 98 unq 7 iso 0 dist 4.50572 9.5305 6.65501 14.7607 10.4782 8.46823 21.8813 17.4071 16.4267 9.64383 numMergedOcc 0
27 mol 98 unq 8 iso 0 dist 4.50572 9.5305 6.65501 14.7607 10.4782 8.46823 9.82583 6.10456 9.67482 7.54889 numMergedOcc 0
28 mol 98 unq 9 iso 0 dist 4.50572 9.5305 6.65501 14.7607 10.4782 8.46823 13.2337 10.1136 12.0974 7.78931 numMergedOcc 0
29 mol 98 unq 10 iso 0 dist 4.50572 9.5305 6.65501 8.32269 3.9764 4.62494 6.88489 5.08437 4.4057 5.10496 numMergedOcc 0
30 mol 98 unq 11 iso 0 dist 4.50572 9.5305 6.65501 8.32269 3.9764 4.62494 9.63267 6.48948 7.42446 5.92242 numMergedOcc 0
31 mol 98 unq 12 iso 0 dist 4.50572 9.5305 6.65501 8.32269 3.9764 4.62494 9.82583 6.10456 9.67482 5.2571 numMergedOcc 0
32 mol 98 unq 13 iso 0 dist 4.50572 9.5305 6.65501 8.32269 3.9764 4.62494 13.2337 10.1136 12.0974 8.7497 numMergedOcc 0
33 mol 109 unq 0 iso 0 dist 8.3164 4.81814 7.80523 9.94704 5.00433 7.56755 14.8479 13.1098 10.0688 9.89083 numMergedOcc 0
34 mol 109 unq 1 iso 0 dist 8.3164 4.81814 7.80523 9.94704 5.00433 7.56755 11.5656 8.69985 7.74599 8.52024 numMergedOcc 0
35 mol 119 unq 0 iso 0 dist 6.18763 6.49348 8.00003 9.10803 9.85023 6.18678 12.7349 13.4378 6.36778 9.77575 numMergedOcc 0
36 mol 129 unq 0 iso 0 dist 6.38163 4.92611 7.58957 6.53559 6.28232 6.34626 6.43966 10.1333 4.92472 5.51197 numMergedOcc 0
37 mol 143 unq 0 iso 0 dist 8.30654 11.6678 7.78652 12.027 4.78563 5.06564 11.3469 5.99315 6.48978 5.37047 numMergedOcc 0
38 mol 143 unq 1 iso 0 dist 8.30654 11.347 8.91301 12.027 4.78563 7.5373 11.3469 5.99315 5.20762 5.37047 numMergedOcc 0
39 mol 155 unq 0 iso 0 dist 4.44292 5.45915 6.53347 7.25009 7.10286 9.24038 10.4606 10.7829 6.89781 8.97626 numMergedOcc 0
40 mol 222 unq 0 iso 0 dist 9.55777 12.979 7.67576 15.2698 6.84862 8.43195 16.4881 7.21333 7.75656 5.56538 numMergedOcc 0
41 mol 222 unq 1 iso 0 dist 9.55777 12.979 7.67576 16.9252 9.53117 8.23406 16.4881 7.21333 7.75656 7.48954 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 9.07872 4.21811 6.02296 13.0848 5.83175 9.18728 9.9474 7.09863 6.35849 5.23634 numMergedOcc 0
43 mol 227 unq 1 iso 0 dist 9.07872 4.21811 6.02296 13.0848 5.83175 9.18728 14.0536 10.8157 10.204 6.91318 numMergedOcc 0
44 mol 232 unq 0 iso 0 dist 7.70279 6.36084 8.50102 12.6048 9.74344 9.9183 9.60401 10.5803 4.9377 6.71524 numMergedOcc 0
45 mol 232 unq 1 iso 0 dist 9.29752 6.36084 9.40808 12.6048 5.10213 9.9183 9.60401 8.27212 4.9377 6.71524 numMergedOcc 0
46 mol 234 unq 0 iso 0 dist 7.46434 11.1213 7.32499 12.6209 13.1872 7.77911 6.50055 10.3625 10.0059 7.81215 numMergedOcc 0
47 mol 234 unq 1 iso 0 dist 7.46434 11.1213 7.32499 12.6209 13.1872 7.77911 12.2047 11.0622 5.08515 5.64285 numMergedOcc 0
48 mol 234 unq 2 iso 0 dist 7.50424 10.6488 7.32499 18.3012 13.1872 7.77911 17.5418 10.3625 10.0059 7.81215 numMergedOcc 0
49 mol 234 unq 3 iso 0 dist 7.50424 10.6488 7.32499 18.3012 13.1872 7.77911 14.76 11.0622 5.08515 5.64285 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 6.55855 6.70266 9.45514 8.97249 12.393 7.77765 4.56913 10.7806 9.5468 9.30212 numMergedOcc 0
51 mol 274 unq 1 iso 0 dist 6.55855 6.70266 9.45514 4.97796 8.87855 9.65868 4.56913 10.7806 9.5468 6.4611 numMergedOcc 0
52 mol 274 unq 2 iso 0 dist 6.55855 5.15747 6.39866 4.97796 8.87855 8.60027 4.56913 10.7806 6.70925 6.4611 numMergedOcc 0
53 mol 274 unq 3 iso 0 dist 9.52894 6.70266 7.1729 8.97249 10.2884 7.77765 4.56913 13.5896 9.5468 9.30212 numMergedOcc 0
54 mol 274 unq 4 iso 0 dist 9.52894 6.70266 7.1729 4.97796 13.0867 9.65868 4.56913 13.5896 9.5468 6.4611 numMergedOcc 0
55 mol 274 unq 5 iso 0 dist 9.71801 4.36131 8.52587 9.39896 16.9539 8.60027 4.37547 13.9359 6.70925 6.4611 numMergedOcc 0
