0 mol 11 unq 0 iso 0 dist 5.95165 4.46394 5.96346 11.7593 10.7734 7.98326 6.50001 4.10106 6.859 9.74251 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.95165 4.46394 5.96346 7.95811 9.62262 7.46578 6.50001 4.10106 6.859 6.56765 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 12.1061 8.4051 18.4559 12.176 6.72323 16.6394 10.1698 6.61696 4.08755 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.54519 12.1061 8.4051 18.4559 12.176 6.72323 13.8227 13.6174 5.80953 10.0453 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.11056 11.095 8.60554 16.6031 14.012 6.72323 17.6238 14.8647 6.61696 4.08755 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.11056 11.095 8.60554 16.6031 14.012 6.72323 10.4056 5.11636 5.80953 10.0453 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 8.40051 4.32173 6.16347 8.78181 6.08585 6.25843 5.77745 5.63212 5.20109 3.904 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 8.6396 4.32173 7.45383 8.78181 5.77929 6.25843 5.77745 6.47509 5.20109 3.904 numMergedOcc 0
8 mol 25 unq 2 iso 0 dist 8.88413 10.7087 7.55264 11.6272 10.8498 6.25843 16.4805 14.9982 9.16515 4.98822 numMergedOcc 0
9 mol 25 unq 3 iso 0 dist 8.88413 10.7087 7.55264 11.6272 10.8498 6.25843 18.5622 14.1251 9.82987 7.91914 numMergedOcc 0
10 mol 25 unq 4 iso 0 dist 8.88413 10.7087 7.55264 11.6272 10.8498 6.25843 16.1203 8.41421 9.40732 10.9145 numMergedOcc 0
11 mol 25 unq 5 iso 0 dist 8.88413 10.7087 7.55264 11.6272 10.8498 6.25843 13.4236 5.68041 6.53269 9.62058 numMergedOcc 0
12 mol 25 unq 6 iso 0 dist 8.88413 10.7087 7.55264 18.0075 10.4337 8.88938 16.4805 14.9982 9.16515 13.4321 numMergedOcc 0
13 mol 25 unq 7 iso 0 dist 8.88413 10.7087 7.55264 18.0075 10.4337 8.88938 18.5622 14.1251 9.82987 9.66912 numMergedOcc 0
14 mol 25 unq 8 iso 0 dist 8.88413 10.7087 7.55264 18.0075 10.4337 8.88938 16.1203 8.41421 9.40732 5.86134 numMergedOcc 0
15 mol 25 unq 9 iso 0 dist 8.88413 10.7087 7.55264 18.0075 10.4337 8.88938 13.4236 5.68041 6.53269 5.38592 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 7.5819 4.00923 7.52354 13.887 14.3301 9.91054 10.9628 6.95017 8.93769 11.9597 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 5.9747 7.43001 6.65501 10.9995 7.06961 6.88901 14.2657 10.4782 8.46823 3.92737 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.9747 7.43001 6.65501 10.9995 7.06961 6.88901 8.3505 3.9764 4.62494 3.94967 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 4.50572 9.5305 6.65501 11.1541 7.06961 6.88901 14.7607 10.4782 8.46823 3.92737 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 4.50572 9.5305 6.65501 11.1541 7.06961 6.88901 8.32269 3.9764 4.62494 3.94967 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 8.89481 11.2266 8.8822 14.3332 7.27193 6.6317 18.4602 13.9729 9.30645 9.74974 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 6.07091 4.98945 9.61462 8.81813 11.5561 5.25109 6.51523 7.5383 7.47964 11.4851 numMergedOcc 0
23 mol 171 unq 1 iso 0 dist 6.07091 4.98945 9.61462 10.1083 10.844 8.21618 6.51523 7.5383 7.47964 12.9811 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.84952 6.78739 5.94469 14.0612 9.69409 9.92471 11.2091 5.42158 8.06308 5.42414 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 7.70279 6.36084 8.50102 9.41148 6.2188 9.78181 12.6048 9.74344 9.9183 14.876 numMergedOcc 0
26 mol 232 unq 1 iso 0 dist 7.70279 6.36084 8.50102 7.83422 12.3508 9.8664 12.6048 9.74344 9.9183 11.2243 numMergedOcc 0
27 mol 232 unq 2 iso 0 dist 9.29752 6.36084 9.40808 9.41148 12.5452 9.78181 12.6048 5.10213 9.9183 14.876 numMergedOcc 0
28 mol 232 unq 3 iso 0 dist 9.29752 6.36084 9.40808 7.83422 8.80479 9.8664 12.6048 5.10213 9.9183 11.2243 numMergedOcc 0
29 mol 244 unq 0 iso 0 dist 7.65388 4.38246 5.50492 8.57917 7.6169 7.95359 9.13494 6.1597 6.53416 3.92686 numMergedOcc 0
30 mol 244 unq 1 iso 0 dist 7.65388 4.38246 5.50492 5.79898 5.17744 6.22122 9.13494 6.1597 6.53416 10.3324 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 6.55855 6.70266 9.45514 9.44134 6.52035 7.75216 8.97249 12.393 7.77765 13.9324 numMergedOcc 0
32 mol 274 unq 1 iso 0 dist 6.55855 6.70266 9.45514 9.44134 6.52035 7.75216 4.97796 8.87855 9.65868 10.7442 numMergedOcc 0
33 mol 274 unq 2 iso 0 dist 6.55855 5.15747 6.39866 9.11072 6.16703 6.88827 4.97796 8.87855 8.60027 13.3632 numMergedOcc 0
34 mol 274 unq 3 iso 0 dist 6.55855 5.15747 6.39866 6.83113 5.64601 9.16942 4.97796 8.87855 8.60027 5.39432 numMergedOcc 0
35 mol 274 unq 4 iso 0 dist 9.52894 6.70266 7.1729 9.44134 5.71192 7.75216 8.97249 10.2884 7.77765 13.9324 numMergedOcc 0
36 mol 274 unq 5 iso 0 dist 9.52894 6.70266 7.1729 9.44134 5.71192 7.75216 4.97796 13.0867 9.65868 10.7442 numMergedOcc 0
37 mol 274 unq 6 iso 0 dist 9.71801 4.36131 8.52587 9.02071 6.20558 6.88827 9.39896 16.9539 8.60027 13.3632 numMergedOcc 0
38 mol 274 unq 7 iso 0 dist 9.71801 4.36131 8.52587 11.74 16.3619 9.16942 9.39896 16.9539 8.60027 5.39432 numMergedOcc 0
