0 mol 54 unq 0 iso 0 dist 9.03391 9.43084 6.89022 11.5435 8.75957 8.89627 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 5.42296 4.30611 6.28905 6.56778 9.09425 10.4286 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 6.18681 3.96397 9.33968 4.48233 8.61893 6.56032 numMergedOcc 0
3 mol 123 unq 0 iso 0 dist 8.53618 5.14679 8.24171 12.1983 7.30244 9.04448 numMergedOcc 0
4 mol 123 unq 1 iso 0 dist 8.53618 11.9979 5.38148 12.1983 7.30244 5.25923 numMergedOcc 0
5 mol 123 unq 2 iso 0 dist 8.53618 3.6989 6.63094 12.1983 7.30244 11.8191 numMergedOcc 0
6 mol 135 unq 0 iso 0 dist 9.94534 4.85925 7.74087 11.52 7.02963 11.7342 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 6.50336 4.80602 8.56285 7.64948 9.59109 8.90481 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 9.23589 9.06581 9.28718 4.42975 9.59327 6.67922 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 8.40257 11.4756 9.56702 6.05893 7.20362 6.03833 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 9.81165 6.30764 9.66947 10.5686 6.81516 6.29383 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 7.74029 11.7269 8.42716 11.9538 5.59832 9.6084 numMergedOcc 0
12 mol 205 unq 2 iso 0 dist 7.74029 11.7269 8.42716 10.5686 9.17562 3.5693 numMergedOcc 0
13 mol 205 unq 3 iso 0 dist 7.74029 6.30764 5.69652 11.9538 5.59832 8.16279 numMergedOcc 0
14 mol 205 unq 4 iso 0 dist 7.74029 6.30764 5.69652 10.5686 9.17562 6.29383 numMergedOcc 0
15 mol 254 unq 0 iso 0 dist 6.12653 5.88488 6.34051 6.6011 9.50951 12.3017 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 8.13595 12.0153 6.12608 5.7252 6.23115 11.7543 numMergedOcc 0
17 mol 286 unq 0 iso 0 dist 9.81574 10.5287 6.87255 9.29057 9.21276 3.82706 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 9.53713 6.53691 8.70479 4.481 7.99204 5.41757 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 5.50067 13.2286 9.97939 5.13166 8.58427 12.4081 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 9.53713 6.53691 8.70479 4.481 7.99204 5.41757 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 5.50067 13.2286 9.97939 5.13166 8.58427 12.4081 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 9.53713 6.53691 8.70479 4.481 7.99204 5.41757 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 5.50067 13.2286 9.97939 5.13166 8.58427 12.4081 numMergedOcc 0
