0 mol 0 unq 0 iso 0 dist 9.83355 5.47921 6.26831 12.2644 5.73813 7.40865 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.88219 7.49611 9.56794 5.98788 10.1804 6.91778 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 9.03822 5.12111 7.92414 11.2151 8.07902 7.03958 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.60416 11.8887 7.26086 16.7804 11.2092 6.65501 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 6.07991 9.52181 6.34525 12.7156 8.51024 6.84011 numMergedOcc 0
5 mol 170 unq 0 iso 0 dist 5.59924 7.62198 8.15099 10.7311 7.29587 6.35982 numMergedOcc 0
6 mol 170 unq 1 iso 0 dist 5.59924 7.62198 8.15099 11.2565 8.73585 7.51126 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 6.27462 11.7578 7.71426 12.0583 6.29877 5.93786 numMergedOcc 0
8 mol 171 unq 1 iso 0 dist 6.27462 11.7578 7.71426 10.3262 5.90358 8.1344 numMergedOcc 0
9 mol 171 unq 2 iso 0 dist 6.27462 5.45834 5.10618 12.0583 6.29877 8.24693 numMergedOcc 0
10 mol 171 unq 3 iso 0 dist 6.27462 5.45834 5.10618 10.3262 5.90358 6.71356 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 6.86144 5.65167 6.51749 14.0525 13.0913 8.90963 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 6.58421 5.77884 7.20574 10.8472 11.8992 8.73217 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 9.03496 11.4876 6.72641 12.5068 6.71237 7.76163 numMergedOcc 0
14 mol 212 unq 0 iso 0 dist 7.90906 9.83647 6.29767 8.36471 9.75095 9.74144 numMergedOcc 0
15 mol 212 unq 1 iso 0 dist 7.90906 9.83647 6.29767 17.1965 12.8059 8.69988 numMergedOcc 0
16 mol 212 unq 2 iso 0 dist 7.90906 9.83647 6.29767 17.427 10.7914 8.55903 numMergedOcc 0
17 mol 212 unq 3 iso 0 dist 7.90906 9.83647 6.29767 11.3524 9.63281 7.15603 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 8.73422 6.64614 7.83711 14.2213 13.8622 9.05071 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.62121 14.572 5.52379 13.5419 5.83386 7.10685 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 9.28463 4.99401 6.66971 11.6979 4.77308 7.57812 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 9.28463 4.99401 6.66971 13.1176 10.2777 8.69104 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 9.28463 9.99053 7.32982 11.6979 4.77308 9.24557 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 8.30744 11.2159 8.55558 12.8164 6.31909 7.08526 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 7.84195 12.9462 6.43341 11.7095 5.89415 9.09855 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 9.2174 7.30763 6.43341 13.7 5.89415 9.09855 numMergedOcc 0
