0 mol 1 unq 0 iso 0 dist 9.30501 6.24156 12.9701 5.96722 7.81034 11.7154 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.30501 9.92098 7.25717 5.96722 7.81034 12.3079 numMergedOcc 0
2 mol 5 unq 0 iso 0 dist 6.40459 5.04052 4.59167 4.69173 6.70655 5.2392 numMergedOcc 0
3 mol 5 unq 1 iso 0 dist 8.58084 8.87863 4.59167 11.6381 6.70655 5.2392 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.43571 7.54282 4.80254 7.53125 6.67455 9.90986 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 8.43571 7.54282 4.80254 9.31749 9.2772 11.9218 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.05327 6.56383 4.55422 6.41876 9.14072 5.41774 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 8.09271 9.04548 8.48585 5.07575 9.23947 11.0085 numMergedOcc 0
8 mol 81 unq 0 iso 0 dist 8.61295 7.062 4.54161 4.79903 9.80754 8.38883 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 7.6104 6.61587 6.70737 10.5201 6.77845 12.7092 numMergedOcc 0
10 mol 83 unq 1 iso 0 dist 7.6104 6.61587 6.70737 7.36012 5.48555 10.3095 numMergedOcc 0
11 mol 83 unq 2 iso 0 dist 7.6104 6.61587 6.70737 12.5239 5.39805 11.8497 numMergedOcc 0
12 mol 83 unq 3 iso 0 dist 7.6104 8.24464 11.1208 10.5201 6.77845 16.9209 numMergedOcc 0
13 mol 83 unq 4 iso 0 dist 7.6104 8.24464 11.1208 7.36012 5.48555 12.6206 numMergedOcc 0
14 mol 83 unq 5 iso 0 dist 7.6104 8.24464 11.1208 12.5239 5.39805 16.2531 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.29879 7.09831 4.85121 9.45934 6.9268 10.2321 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 6.29879 7.09831 4.85121 5.10912 8.19166 10.9863 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 6.53862 8.64976 8.8108 4.77272 5.84909 11.9149 numMergedOcc 0
18 mol 133 unq 3 iso 0 dist 6.53862 9.52159 5.94139 4.77272 5.84909 11.044 numMergedOcc 0
19 mol 148 unq 0 iso 0 dist 8.91834 9.23896 8.33923 3.9163 9.00881 11.7062 numMergedOcc 0
20 mol 148 unq 1 iso 0 dist 8.91834 6.02506 4.05566 3.9163 9.00881 7.55497 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 8.84061 9.46439 8.49102 3.9243 9.03478 12.0365 numMergedOcc 0
22 mol 150 unq 1 iso 0 dist 8.84061 6.07854 3.92044 3.9243 9.03478 7.62236 numMergedOcc 0
23 mol 162 unq 0 iso 0 dist 8.80787 8.64101 12.2255 14.9825 8.03695 19.6919 numMergedOcc 0
24 mol 168 unq 0 iso 0 dist 9.6856 4.68544 10.5275 12.8199 5.60956 14.6843 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 7.73442 9.53656 6.63015 7.11382 9.34265 14.5729 numMergedOcc 0
26 mol 184 unq 1 iso 0 dist 7.73442 7.06562 10.6362 7.11382 9.34265 9.7679 numMergedOcc 0
27 mol 233 unq 0 iso 0 dist 6.58227 9.28828 4.5423 4.69692 9.72186 10.8286 numMergedOcc 0
28 mol 233 unq 1 iso 0 dist 6.58227 9.28828 4.5423 5.49245 8.39315 12.5134 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 8.66923 9.97859 4.70535 6.89134 5.83514 6.96382 numMergedOcc 0
30 mol 247 unq 0 iso 0 dist 6.63325 5.97717 3.42642 12.9101 9.21409 9.01651 numMergedOcc 0
31 mol 247 unq 1 iso 0 dist 6.63325 5.97717 3.42642 7.97824 9.17812 8.83903 numMergedOcc 0
