0 mol 19 unq 0 iso 0 dist 7.84393 9.97466 6.3033 9.01721 7.82074 12.1151 6.31174 8.73972 9.62336 6.55187 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 4.24428 7.02693 3.85805 6.58444 5.93252 9.10566 5.14919 5.64598 7.78587 9.77992 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 6.30194 7.02693 5.17781 10.5627 6.19304 11.3218 5.14919 4.65521 7.78587 7.41074 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 7.01889 8.58248 4.73407 15.0744 9.96396 11.3218 15.124 8.70133 7.78587 7.41074 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 7.01889 8.58248 4.73407 8.11922 9.75218 12.8353 15.124 8.70133 7.78587 15.9882 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 7.01889 8.58248 4.73407 7.9573 9.38498 6.23522 15.124 8.70133 7.78587 13.4082 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 4.83274 5.91098 3.69293 10.2219 6.97941 7.61521 13.8036 9.49449 8.90522 6.06861 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 7.89214 4.86523 3.69293 7.74851 6.97941 7.61521 6.63393 9.49449 8.90522 6.06861 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 7.76275 5.6516 6.27514 13.1838 9.36773 10.7263 8.71166 9.2603 9.3522 6.95868 numMergedOcc 0
9 mol 88 unq 1 iso 0 dist 7.76275 5.6516 6.27514 12.6939 8.31336 12.2051 8.71166 9.2603 9.3522 6.97239 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 8.62711 9.64136 3.97136 10.345 9.30299 12.4738 13.376 9.81878 13.5555 4.77464 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 6.73365 8.06007 12.5746 5.73338 5.6234 12.7901 7.92448 9.0664 15.8157 5.28109 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 6.73365 8.06007 12.5746 12.753 9.92231 20.1806 7.92448 9.0664 15.8157 7.14477 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 7.7292 6.46946 6.49075 13.4646 7.10633 12.9966 11.695 5.90931 9.58537 5.09262 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 7.7292 6.46946 6.49075 9.54287 8.51516 13.0232 11.695 5.90931 9.58537 12.9483 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 9.26156 9.2554 9.65344 7.10801 7.00034 12.6062 13.2114 7.20082 14.668 7.04058 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 8.53729 6.93942 9.46115 16.1265 9.02271 17.1121 15.6651 7.19465 15.0416 7.92528 numMergedOcc 0
17 mol 253 unq 1 iso 0 dist 8.53729 9.05161 10.3603 16.1265 9.02271 18.3798 15.6651 7.19465 14.9336 7.92528 numMergedOcc 0
18 mol 253 unq 2 iso 0 dist 8.07341 9.31626 9.46115 16.581 9.02271 17.1121 14.0411 7.19465 15.0416 7.92528 numMergedOcc 0
19 mol 253 unq 3 iso 0 dist 8.07341 9.77366 10.3603 16.581 9.02271 18.3798 14.0411 7.19465 14.9336 7.92528 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 7.54805 6.18698 5.94366 12.5953 8.4218 10.2644 8.3872 6.34034 9.47153 6.43013 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 8.82094 9.87477 4.95884 4.78295 8.48753 11.7109 10.6582 7.67853 12.5578 6.64985 numMergedOcc 0
