0 mol 21 unq 0 iso 0 dist 8.32279 4.82549 5.40424 8.09082 4.2995 4.20216 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 8.32279 4.82549 5.40424 7.5136 8.74733 4.28381 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.79578 6.21143 11.0524 6.94712 7.72003 6.06742 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.88001 9.46609 9.67231 6.72469 10.6564 5.6999 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 8.35292 8.06918 13.6191 8.63204 4.40298 15.7824 numMergedOcc 0
5 mol 70 unq 1 iso 0 dist 8.35292 8.06918 13.6191 5.4014 5.42458 12.3616 numMergedOcc 0
6 mol 70 unq 2 iso 0 dist 8.35292 7.52623 10.3189 8.63204 4.40298 13.3187 numMergedOcc 0
7 mol 70 unq 3 iso 0 dist 8.35292 7.52623 10.3189 5.4014 5.42458 10.3115 numMergedOcc 0
8 mol 70 unq 4 iso 0 dist 8.35292 5.62294 7.45004 8.63204 4.40298 4.77578 numMergedOcc 0
9 mol 70 unq 5 iso 0 dist 8.35292 5.62294 7.45004 5.4014 5.42458 4.14483 numMergedOcc 0
10 mol 70 unq 6 iso 0 dist 7.9945 8.56968 13.6191 9.19079 4.40298 15.7824 numMergedOcc 0
11 mol 70 unq 7 iso 0 dist 7.9945 8.56968 13.6191 8.37742 5.42458 12.3616 numMergedOcc 0
12 mol 70 unq 8 iso 0 dist 7.9945 7.31655 10.3189 9.19079 4.40298 13.3187 numMergedOcc 0
13 mol 70 unq 9 iso 0 dist 7.9945 7.31655 10.3189 8.37742 5.42458 10.3115 numMergedOcc 0
14 mol 70 unq 10 iso 0 dist 7.9945 7.99569 7.45004 9.19079 4.40298 4.77578 numMergedOcc 0
15 mol 70 unq 11 iso 0 dist 7.9945 7.99569 7.45004 8.37742 5.42458 4.14483 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 6.06325 5.43229 5.0062 8.54304 8.33176 5.78043 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 8.28543 8.64561 8.22994 8.08491 12.281 8.82601 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 9.89665 8.65687 14.7889 9.36144 13.3593 3.99908 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 9.67898 8.20906 15.0744 6.28826 11.211 7.451 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 9.63451 5.13604 6.66326 7.71199 5.07755 4.42755 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 5.2691 7.64415 5.49431 9.08259 5.31043 10.3732 numMergedOcc 0
22 mol 253 unq 1 iso 0 dist 5.2691 7.64415 5.49431 8.42325 4.41719 6.91495 numMergedOcc 0
23 mol 253 unq 2 iso 0 dist 5.2691 7.83041 8.71428 9.08259 5.31043 13.6673 numMergedOcc 0
24 mol 253 unq 3 iso 0 dist 5.2691 7.83041 8.71428 8.42325 4.41719 8.34036 numMergedOcc 0
