0 mol 5 unq 0 iso 0 dist 5.04052 4.69173 5.2392 12.2465 11.3755 8.70824 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.04052 4.69173 5.2392 9.36425 5.90479 5.93404 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 5.04052 4.69173 5.2392 6.40459 4.59167 6.70655 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 8.87863 11.6381 5.2392 17.336 11.3755 8.70824 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 8.87863 11.6381 5.2392 14.4153 5.90479 5.93404 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 8.87863 11.6381 5.2392 8.58084 4.59167 6.70655 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 7.54282 7.53125 9.90986 8.43571 4.80254 6.67455 numMergedOcc 0
7 mol 44 unq 0 iso 0 dist 6.86391 11.0716 7.61923 18.4947 14.1388 7.44869 numMergedOcc 0
8 mol 44 unq 1 iso 0 dist 6.86391 7.93542 5.11941 10.2423 4.6365 9.17447 numMergedOcc 0
9 mol 46 unq 0 iso 0 dist 4.61355 11.6888 7.57749 10.2991 6.28248 8.18251 numMergedOcc 0
10 mol 46 unq 1 iso 0 dist 4.61355 11.6888 7.57749 7.998 3.66253 5.02642 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 6.56383 6.41876 5.41774 7.05327 4.55422 9.14072 numMergedOcc 0
12 mol 81 unq 0 iso 0 dist 7.062 4.79903 8.38883 13.0992 11.9686 8.9672 numMergedOcc 0
13 mol 81 unq 1 iso 0 dist 7.062 4.79903 8.38883 8.61295 4.54161 9.80754 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 6.02506 3.9163 7.55497 8.91834 4.05566 9.00881 numMergedOcc 0
15 mol 148 unq 1 iso 0 dist 9.8506 11.6478 7.55497 13.7967 4.05566 9.00881 numMergedOcc 0
16 mol 150 unq 0 iso 0 dist 6.07854 3.9243 7.62236 8.84061 3.92044 9.03478 numMergedOcc 0
17 mol 150 unq 1 iso 0 dist 9.91991 11.5974 7.62236 13.7344 3.92044 9.03478 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 7.06562 7.11382 9.7679 7.73442 10.6362 9.34265 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 6.89441 10.186 6.0033 13.1149 6.57766 7.32228 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.97859 6.89134 6.96382 8.66923 4.70535 5.83514 numMergedOcc 0
21 mol 247 unq 0 iso 0 dist 5.97717 12.9101 9.01651 6.63325 3.42642 9.21409 numMergedOcc 0
22 mol 247 unq 1 iso 0 dist 5.97717 7.97824 8.83903 6.63325 3.42642 9.17812 numMergedOcc 0
