0 mol 11 unq 0 iso 0 dist 5.95165 4.46394 5.96346 6.50001 4.10106 6.859 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.36377 5.96976 6.93532 9.30877 5.01101 5.94982 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 12.1061 8.4051 16.6394 10.1698 6.61696 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.54519 12.1061 8.4051 13.8227 13.6174 5.80953 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.54519 6.53276 8.23446 13.5933 5.73029 9.33304 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 9.54519 6.53276 8.23446 9.49646 6.28159 4.5711 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 9.54519 6.53276 8.23446 6.36381 5.50396 4.44526 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 9.54519 6.81998 8.75662 6.36381 5.50396 9.586 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 6.11056 11.095 8.60554 17.6238 14.8647 6.61696 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 6.11056 11.095 8.60554 10.4056 5.11636 5.80953 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 6.11056 4.04757 8.44664 8.94703 4.79736 9.98592 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 6.11056 6.66757 9.44691 15.2305 14.4081 9.586 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 8.40051 4.32173 6.16347 5.77745 5.63212 5.20109 numMergedOcc 0
13 mol 25 unq 1 iso 0 dist 8.6396 4.32173 7.45383 5.77745 6.47509 5.20109 numMergedOcc 0
14 mol 25 unq 2 iso 0 dist 8.88413 10.7087 7.55264 16.4805 14.9982 9.16515 numMergedOcc 0
15 mol 25 unq 3 iso 0 dist 8.88413 10.7087 7.55264 18.5622 14.1251 9.82987 numMergedOcc 0
16 mol 25 unq 4 iso 0 dist 8.88413 10.7087 7.55264 16.1203 8.41421 9.40732 numMergedOcc 0
17 mol 25 unq 5 iso 0 dist 8.88413 10.7087 7.55264 13.4236 5.68041 6.53269 numMergedOcc 0
18 mol 25 unq 6 iso 0 dist 7.63928 9.78075 6.85556 12.3312 5.86705 6.29797 numMergedOcc 0
19 mol 41 unq 0 iso 0 dist 5.41493 4.08339 8.51663 9.74532 13.4019 6.21128 numMergedOcc 0
20 mol 58 unq 0 iso 0 dist 6.36193 4.37642 5.93884 8.85156 4.23671 9.53438 numMergedOcc 0
21 mol 58 unq 1 iso 0 dist 4.88613 4.37642 7.68678 8.85156 5.6823 9.53438 numMergedOcc 0
22 mol 61 unq 0 iso 0 dist 9.22002 12.7481 9.25641 15.9231 8.89519 8.60069 numMergedOcc 0
23 mol 92 unq 0 iso 0 dist 7.5819 4.00923 7.52354 10.9628 6.95017 8.93769 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.9747 7.43001 6.65501 14.2657 10.4782 8.46823 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 5.9747 7.43001 6.65501 8.3505 3.9764 4.62494 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 4.50572 9.5305 6.65501 14.7607 10.4782 8.46823 numMergedOcc 0
27 mol 98 unq 3 iso 0 dist 4.50572 9.5305 6.65501 8.32269 3.9764 4.62494 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 8.3164 4.81814 7.80523 9.94704 5.00433 7.56755 numMergedOcc 0
29 mol 113 unq 0 iso 0 dist 8.89481 11.2266 8.8822 18.4602 13.9729 9.30645 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 6.18763 6.49348 8.00003 9.10803 9.85023 6.18678 numMergedOcc 0
31 mol 129 unq 0 iso 0 dist 6.38163 4.92611 7.58957 6.53559 6.28232 6.34626 numMergedOcc 0
32 mol 143 unq 0 iso 0 dist 8.30654 11.6678 7.78652 12.027 4.78563 5.06564 numMergedOcc 0
33 mol 143 unq 1 iso 0 dist 8.30654 11.347 8.91301 12.027 4.78563 7.5373 numMergedOcc 0
34 mol 155 unq 0 iso 0 dist 4.44292 5.45915 6.53347 7.25009 7.10286 9.24038 numMergedOcc 0
35 mol 159 unq 0 iso 0 dist 7.97007 6.69743 8.4858 10.0117 4.48323 9.35202 numMergedOcc 0
36 mol 171 unq 0 iso 0 dist 6.07091 4.98945 9.61462 6.51523 7.5383 7.47964 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 9.84952 6.78739 5.94469 11.2091 5.42158 8.06308 numMergedOcc 0
38 mol 195 unq 0 iso 0 dist 7.63036 7.14066 7.36683 10.6446 5.41635 6.22742 numMergedOcc 0
39 mol 212 unq 0 iso 0 dist 5.87223 6.48939 8.69988 5.03184 3.9436 9.10288 numMergedOcc 0
40 mol 212 unq 1 iso 0 dist 5.87223 5.81626 8.55903 5.03184 3.9436 6.19798 numMergedOcc 0
41 mol 212 unq 2 iso 0 dist 8.062 10.4595 8.69988 11.3822 3.9436 9.10288 numMergedOcc 0
42 mol 212 unq 3 iso 0 dist 8.062 14.0193 8.55903 11.3822 3.9436 6.19798 numMergedOcc 0
43 mol 212 unq 4 iso 0 dist 8.70011 8.87823 8.69988 9.54676 3.9436 9.10288 numMergedOcc 0
44 mol 212 unq 5 iso 0 dist 8.70011 10.7245 8.55903 9.54676 3.9436 6.19798 numMergedOcc 0
45 mol 222 unq 0 iso 0 dist 9.55777 12.979 7.67576 15.2698 6.84862 8.43195 numMergedOcc 0
46 mol 222 unq 1 iso 0 dist 9.55777 12.979 7.67576 16.9252 9.53117 8.23406 numMergedOcc 0
47 mol 227 unq 0 iso 0 dist 9.07872 4.21811 6.02296 13.0848 5.83175 9.18728 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 7.70279 6.36084 8.50102 12.6048 9.74344 9.9183 numMergedOcc 0
49 mol 232 unq 1 iso 0 dist 9.29752 6.36084 9.40808 12.6048 5.10213 9.9183 numMergedOcc 0
50 mol 234 unq 0 iso 0 dist 7.46434 11.1213 7.32499 12.6209 13.1872 7.77911 numMergedOcc 0
51 mol 234 unq 1 iso 0 dist 7.50424 10.6488 7.32499 18.3012 13.1872 7.77911 numMergedOcc 0
52 mol 244 unq 0 iso 0 dist 7.65388 4.38246 5.50492 9.13494 6.1597 6.53416 numMergedOcc 0
53 mol 274 unq 0 iso 0 dist 6.55855 6.70266 9.45514 8.97249 12.393 7.77765 numMergedOcc 0
54 mol 274 unq 1 iso 0 dist 6.55855 6.70266 9.45514 4.97796 8.87855 9.65868 numMergedOcc 0
55 mol 274 unq 2 iso 0 dist 6.55855 5.15747 6.39866 4.97796 8.87855 8.60027 numMergedOcc 0
56 mol 274 unq 3 iso 0 dist 9.52894 6.70266 7.1729 8.97249 10.2884 7.77765 numMergedOcc 0
57 mol 274 unq 4 iso 0 dist 9.52894 6.70266 7.1729 4.97796 13.0867 9.65868 numMergedOcc 0
58 mol 274 unq 5 iso 0 dist 9.71801 4.36131 8.52587 9.39896 16.9539 8.60027 numMergedOcc 0
