0 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 12.4209 11.6856 10.2656 6.51133 7.65889 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.36377 5.48395 6.31718 5.96976 6.93532 10.4366 9.30877 5.01101 11.0298 5.94982 12.4209 11.6856 16.4761 6.51133 7.65889 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 6.36377 5.48395 6.31718 5.96976 6.93532 10.4366 9.30877 5.01101 11.0298 5.94982 4.78943 5.05803 6.92781 5.30082 6.42835 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 12.1061 8.4051 5.11617 13.8227 13.6174 10.9113 5.80953 18.4381 15.5324 11.4989 8.52463 7.95042 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 6.53276 8.23446 13.1779 9.49646 6.28159 10.4135 4.5711 5.80023 7.36323 12.3067 6.38336 8.87744 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 9.54519 13.2653 5.54419 6.53276 8.23446 13.1779 6.36381 5.50396 9.33482 4.44526 5.80023 7.36323 12.3067 6.38336 7.27472 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 9.54519 13.2653 5.54419 6.81998 8.75662 10.8238 6.36381 5.50396 9.33482 9.586 5.80023 7.36323 12.3067 6.7828 7.27472 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 9.54519 5.80023 7.36323 12.1061 8.4051 13.2229 16.6394 10.1698 17.003 6.61696 13.2653 5.54419 12.3067 5.11617 5.68215 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 9.54519 5.80023 7.36323 12.1061 8.4051 13.2229 13.8227 13.6174 16.707 5.80953 18.4381 15.5324 19.2131 8.52463 7.95042 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 6.11056 10.4744 8.86116 11.095 8.60554 8.52463 17.6238 14.8647 12.5088 6.61696 14.0772 13.2433 11.4989 5.11617 5.68215 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 6.11056 10.4744 8.86116 6.66757 9.44691 13.4893 15.2305 14.4081 17.9275 9.586 13.3975 15.5296 19.2131 6.7828 7.27472 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 6.11056 6.9756 8.38394 11.095 8.60554 12.3994 17.6238 14.8647 17.9146 6.61696 14.0772 13.2433 15.4364 5.11617 5.68215 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 6.11056 6.9756 8.38394 11.095 8.60554 12.3994 10.4056 5.11636 10.9819 5.80953 10.4744 8.86116 6.44287 8.52463 7.95042 numMergedOcc 0
13 mol 24 unq 10 iso 0 dist 6.11056 6.9756 8.38394 6.66757 9.44691 12.505 15.2305 14.4081 19.8965 9.586 13.3975 15.5296 19.1123 6.7828 7.27472 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 4.32173 6.16347 9.34396 5.77745 5.63212 10.9703 5.20109 5.8503 11.9561 15.5644 7.33728 7.05196 numMergedOcc 0
15 mol 25 unq 1 iso 0 dist 8.40051 14.4191 7.17969 4.32173 6.16347 10.8498 5.77745 5.63212 10.3338 5.20109 5.8503 11.9561 16.1048 7.33728 7.05196 numMergedOcc 0
16 mol 25 unq 2 iso 0 dist 8.88413 5.59268 7.17969 10.7087 7.55264 6.08585 16.4805 14.9982 11.037 9.16515 16.046 12.8117 10.9391 5.77929 6.55597 numMergedOcc 0
17 mol 25 unq 3 iso 0 dist 8.88413 5.59268 7.17969 10.7087 7.55264 6.08585 18.5622 14.1251 13.0315 9.82987 16.046 12.8117 10.9391 5.77929 7.07751 numMergedOcc 0
18 mol 25 unq 4 iso 0 dist 8.88413 5.59268 7.17969 10.7087 7.55264 6.08585 13.4236 5.68041 9.48085 6.53269 16.046 12.8117 10.9391 5.77929 9.49421 numMergedOcc 0
19 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 7.43001 6.65501 4.4057 14.2657 10.4782 9.81956 8.46823 22.4143 17.4071 18.6405 16.4267 9.64383 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 5.9747 4.75138 5.08437 7.43001 6.65501 4.4057 14.2657 10.4782 9.81956 8.46823 11.3628 6.10456 8.40073 9.67482 7.54889 numMergedOcc 0
21 mol 98 unq 2 iso 0 dist 5.9747 4.75138 5.08437 7.43001 6.65501 4.4057 14.2657 10.4782 9.81956 8.46823 13.9599 10.1136 10.2427 12.0974 7.78931 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 5.9747 4.75138 5.08437 7.43001 6.65501 4.4057 8.3505 3.9764 5.10496 4.62494 10.4417 6.48948 9.51923 7.42446 5.92242 numMergedOcc 0
23 mol 98 unq 4 iso 0 dist 5.9747 4.75138 5.08437 7.43001 6.65501 4.4057 8.3505 3.9764 5.10496 4.62494 11.3628 6.10456 8.40073 9.67482 5.2571 numMergedOcc 0
24 mol 98 unq 5 iso 0 dist 5.9747 4.75138 5.08437 7.43001 6.65501 4.4057 8.3505 3.9764 5.10496 4.62494 13.9599 10.1136 10.2427 12.0974 8.7497 numMergedOcc 0
25 mol 98 unq 6 iso 0 dist 5.9747 10.4417 6.48948 7.43001 6.65501 7.42446 14.2657 10.4782 10.8223 8.46823 22.4143 17.4071 14.7899 16.4267 9.64383 numMergedOcc 0
26 mol 98 unq 7 iso 0 dist 5.9747 10.4417 6.48948 7.43001 6.65501 7.42446 14.2657 10.4782 10.8223 8.46823 11.3628 6.10456 9.42358 9.67482 7.54889 numMergedOcc 0
27 mol 98 unq 8 iso 0 dist 5.9747 10.4417 6.48948 7.43001 6.65501 7.42446 14.2657 10.4782 10.8223 8.46823 13.9599 10.1136 13.9786 12.0974 7.78931 numMergedOcc 0
28 mol 98 unq 9 iso 0 dist 5.9747 10.4417 6.48948 7.43001 6.65501 7.42446 8.3505 3.9764 5.92242 4.62494 4.75138 5.08437 9.51923 4.4057 5.10496 numMergedOcc 0
29 mol 98 unq 10 iso 0 dist 5.9747 10.4417 6.48948 7.43001 6.65501 7.42446 8.3505 3.9764 5.92242 4.62494 11.3628 6.10456 9.42358 9.67482 5.2571 numMergedOcc 0
30 mol 98 unq 11 iso 0 dist 5.9747 10.4417 6.48948 7.43001 6.65501 7.42446 8.3505 3.9764 5.92242 4.62494 13.9599 10.1136 13.9786 12.0974 8.7497 numMergedOcc 0
31 mol 98 unq 12 iso 0 dist 5.9747 11.3628 6.10456 7.43001 6.65501 9.67482 14.2657 10.4782 7.54889 8.46823 22.4143 17.4071 13.659 16.4267 9.64383 numMergedOcc 0
32 mol 98 unq 13 iso 0 dist 5.9747 11.3628 6.10456 7.43001 6.65501 9.67482 14.2657 10.4782 7.54889 8.46823 13.9599 10.1136 5.02887 12.0974 7.78931 numMergedOcc 0
33 mol 98 unq 14 iso 0 dist 5.9747 11.3628 6.10456 7.43001 6.65501 9.67482 8.3505 3.9764 5.2571 4.62494 4.75138 5.08437 8.40073 4.4057 5.10496 numMergedOcc 0
34 mol 98 unq 15 iso 0 dist 5.9747 11.3628 6.10456 7.43001 6.65501 9.67482 8.3505 3.9764 5.2571 4.62494 10.4417 6.48948 9.42358 7.42446 5.92242 numMergedOcc 0
35 mol 98 unq 16 iso 0 dist 5.9747 11.3628 6.10456 7.43001 6.65501 9.67482 8.3505 3.9764 5.2571 4.62494 13.9599 10.1136 5.02887 12.0974 8.7497 numMergedOcc 0
36 mol 98 unq 17 iso 0 dist 4.50572 6.88489 5.08437 9.5305 6.65501 4.4057 14.7607 10.4782 9.81956 8.46823 21.8813 17.4071 18.6405 16.4267 9.64383 numMergedOcc 0
37 mol 98 unq 18 iso 0 dist 4.50572 6.88489 5.08437 9.5305 6.65501 4.4057 14.7607 10.4782 9.81956 8.46823 9.82583 6.10456 8.40073 9.67482 7.54889 numMergedOcc 0
38 mol 98 unq 19 iso 0 dist 4.50572 6.88489 5.08437 9.5305 6.65501 4.4057 14.7607 10.4782 9.81956 8.46823 13.2337 10.1136 10.2427 12.0974 7.78931 numMergedOcc 0
39 mol 98 unq 20 iso 0 dist 4.50572 6.88489 5.08437 9.5305 6.65501 4.4057 8.32269 3.9764 5.10496 4.62494 9.63267 6.48948 9.51923 7.42446 5.92242 numMergedOcc 0
40 mol 98 unq 21 iso 0 dist 4.50572 6.88489 5.08437 9.5305 6.65501 4.4057 8.32269 3.9764 5.10496 4.62494 9.82583 6.10456 8.40073 9.67482 5.2571 numMergedOcc 0
41 mol 98 unq 22 iso 0 dist 4.50572 6.88489 5.08437 9.5305 6.65501 4.4057 8.32269 3.9764 5.10496 4.62494 13.2337 10.1136 10.2427 12.0974 8.7497 numMergedOcc 0
42 mol 98 unq 23 iso 0 dist 4.50572 9.63267 6.48948 9.5305 6.65501 7.42446 14.7607 10.4782 10.8223 8.46823 21.8813 17.4071 14.7899 16.4267 9.64383 numMergedOcc 0
43 mol 98 unq 24 iso 0 dist 4.50572 9.63267 6.48948 9.5305 6.65501 7.42446 14.7607 10.4782 10.8223 8.46823 9.82583 6.10456 9.42358 9.67482 7.54889 numMergedOcc 0
44 mol 98 unq 25 iso 0 dist 4.50572 9.63267 6.48948 9.5305 6.65501 7.42446 14.7607 10.4782 10.8223 8.46823 13.2337 10.1136 13.9786 12.0974 7.78931 numMergedOcc 0
45 mol 98 unq 26 iso 0 dist 4.50572 9.63267 6.48948 9.5305 6.65501 7.42446 8.32269 3.9764 5.92242 4.62494 6.88489 5.08437 9.51923 4.4057 5.10496 numMergedOcc 0
46 mol 98 unq 27 iso 0 dist 4.50572 9.63267 6.48948 9.5305 6.65501 7.42446 8.32269 3.9764 5.92242 4.62494 9.82583 6.10456 9.42358 9.67482 5.2571 numMergedOcc 0
47 mol 98 unq 28 iso 0 dist 4.50572 9.63267 6.48948 9.5305 6.65501 7.42446 8.32269 3.9764 5.92242 4.62494 13.2337 10.1136 13.9786 12.0974 8.7497 numMergedOcc 0
48 mol 98 unq 29 iso 0 dist 4.50572 9.82583 6.10456 9.5305 6.65501 9.67482 14.7607 10.4782 7.54889 8.46823 21.8813 17.4071 13.659 16.4267 9.64383 numMergedOcc 0
49 mol 98 unq 30 iso 0 dist 4.50572 9.82583 6.10456 9.5305 6.65501 9.67482 14.7607 10.4782 7.54889 8.46823 13.2337 10.1136 5.02887 12.0974 7.78931 numMergedOcc 0
50 mol 98 unq 31 iso 0 dist 4.50572 9.82583 6.10456 9.5305 6.65501 9.67482 8.32269 3.9764 5.2571 4.62494 6.88489 5.08437 8.40073 4.4057 5.10496 numMergedOcc 0
51 mol 98 unq 32 iso 0 dist 4.50572 9.82583 6.10456 9.5305 6.65501 9.67482 8.32269 3.9764 5.2571 4.62494 9.63267 6.48948 9.42358 7.42446 5.92242 numMergedOcc 0
52 mol 98 unq 33 iso 0 dist 4.50572 9.82583 6.10456 9.5305 6.65501 9.67482 8.32269 3.9764 5.2571 4.62494 13.2337 10.1136 5.02887 12.0974 8.7497 numMergedOcc 0
53 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 14.8479 13.1098 7.15843 10.0688 9.89083 numMergedOcc 0
54 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 6.49348 8.00003 10.4376 9.10803 9.85023 13.6983 6.18678 12.7349 13.4378 16.1743 6.36778 9.77575 numMergedOcc 0
55 mol 129 unq 0 iso 0 dist 6.38163 8.61575 9.61051 4.92611 7.58957 5.68211 6.53559 6.28232 11.3039 6.34626 6.43966 10.1333 10.4792 4.92472 5.51197 numMergedOcc 0
56 mol 129 unq 1 iso 0 dist 6.38163 10.0961 5.83384 4.92611 7.58957 10.5488 6.53559 6.28232 11.7541 6.34626 6.43966 10.1333 14.6152 4.92472 5.51197 numMergedOcc 0
57 mol 222 unq 0 iso 0 dist 9.55777 6.54251 8.01589 12.979 7.67576 10.3151 15.2698 6.84862 14.4477 8.43195 16.4881 7.21333 13.3522 7.75656 5.56538 numMergedOcc 0
58 mol 222 unq 1 iso 0 dist 9.55777 6.54251 8.01589 12.979 7.67576 10.3151 16.9252 9.53117 16.3082 8.23406 16.4881 7.21333 13.3522 7.75656 7.48954 numMergedOcc 0
59 mol 222 unq 2 iso 0 dist 9.55777 15.3892 7.7699 12.979 7.67576 7.81022 15.2698 6.84862 10.0233 8.43195 16.4881 7.21333 5.24516 7.75656 5.56538 numMergedOcc 0
60 mol 222 unq 3 iso 0 dist 9.55777 15.3892 7.7699 12.979 7.67576 7.81022 16.9252 9.53117 11.839 8.23406 16.4881 7.21333 5.24516 7.75656 7.48954 numMergedOcc 0
61 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 14.0536 10.8157 5.22356 10.204 6.91318 numMergedOcc 0
62 mol 234 unq 0 iso 0 dist 7.46434 13.0285 8.41436 11.1213 7.32499 10.7902 12.6209 13.1872 17.3846 7.77911 6.50055 10.3625 16.814 10.0059 7.81215 numMergedOcc 0
63 mol 234 unq 1 iso 0 dist 7.46434 13.0285 8.41436 11.1213 7.32499 10.7902 12.6209 13.1872 17.3846 7.77911 12.2047 11.0622 12.7009 5.08515 5.64285 numMergedOcc 0
64 mol 234 unq 2 iso 0 dist 7.46434 13.9912 8.92474 11.1213 7.32499 4.4288 12.6209 13.1872 11.3419 7.77911 6.50055 10.3625 14.1297 10.0059 7.81215 numMergedOcc 0
65 mol 234 unq 3 iso 0 dist 7.46434 13.9912 8.92474 11.1213 7.32499 4.4288 12.6209 13.1872 11.3419 7.77911 12.2047 11.0622 6.87903 5.08515 5.64285 numMergedOcc 0
66 mol 234 unq 4 iso 0 dist 7.50424 6.88707 8.41436 10.6488 7.32499 10.7902 18.3012 13.1872 17.3846 7.77911 17.5418 10.3625 16.814 10.0059 7.81215 numMergedOcc 0
67 mol 234 unq 5 iso 0 dist 7.50424 6.88707 8.41436 10.6488 7.32499 10.7902 18.3012 13.1872 17.3846 7.77911 14.76 11.0622 12.7009 5.08515 5.64285 numMergedOcc 0
68 mol 234 unq 6 iso 0 dist 7.50424 8.96936 8.92474 10.6488 7.32499 4.4288 18.3012 13.1872 11.3419 7.77911 17.5418 10.3625 14.1297 10.0059 7.81215 numMergedOcc 0
69 mol 234 unq 7 iso 0 dist 7.50424 8.96936 8.92474 10.6488 7.32499 4.4288 18.3012 13.1872 11.3419 7.77911 14.76 11.0622 6.87903 5.08515 5.64285 numMergedOcc 0
70 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 4.36131 8.52587 5.29529 9.39896 16.9539 12.8334 8.60027 4.37547 13.9359 9.15171 6.70925 6.4611 numMergedOcc 0
