0 mol 6 unq 0 iso 0 dist 9.90644 8.78583 6.25505 6.01633 7.76205 4.76488 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 8.79578 6.21143 11.0524 5.15508 6.6367 9.03391 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 6.88001 9.46609 9.67231 10.2302 7.51631 12.0508 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 8.35292 8.06918 13.6191 5.00416 8.86253 11.2098 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 8.35292 7.52623 10.3189 5.00416 8.86253 10.6366 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 8.35292 5.62294 7.45004 5.00416 8.86253 5.48202 numMergedOcc 0
6 mol 70 unq 3 iso 0 dist 7.9945 8.56968 13.6191 4.00828 8.86253 11.2098 numMergedOcc 0
7 mol 70 unq 4 iso 0 dist 7.9945 7.31655 10.3189 4.00828 8.86253 10.6366 numMergedOcc 0
8 mol 70 unq 5 iso 0 dist 7.9945 7.99569 7.45004 4.00828 8.86253 5.48202 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 7.61296 8.94447 10.2828 5.86518 6.61697 9.69937 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 8.28543 8.64561 8.22994 5.77195 9.48763 13.1832 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 9.56851 8.87757 4.71843 13.952 8.47283 12.9977 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 9.89665 8.65687 14.7889 14.3269 7.54599 18.1542 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 9.67898 8.20906 15.0744 7.25055 6.26596 14.5432 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 9.32657 6.31342 6.81372 15.3903 8.81424 11.9652 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 9.32657 6.31342 6.81372 12.2323 9.60949 14.4859 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 5.46388 6.06804 5.66663 5.33958 6.10062 10.2284 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 9.08448 6.43838 4.25998 14.6217 7.8548 9.80435 numMergedOcc 0
18 mol 235 unq 1 iso 0 dist 9.08448 9.24964 17.7548 14.6217 7.8548 22.5915 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 6.05376 6.89216 4.77757 5.08672 9.33393 11.4634 numMergedOcc 0
20 mol 254 unq 0 iso 0 dist 8.85328 9.16587 6.62536 3.71879 7.57834 6.12653 numMergedOcc 0
21 mol 254 unq 1 iso 0 dist 7.46584 9.16587 8.00274 5.04917 8.9475 10.2429 numMergedOcc 0
22 mol 254 unq 2 iso 0 dist 7.46584 9.16587 8.00274 5.5598 8.26189 7.23916 numMergedOcc 0
23 mol 254 unq 3 iso 0 dist 7.46584 9.16587 8.00274 3.71879 5.75348 6.12653 numMergedOcc 0
