0 mol 12 unq 0 iso 0 dist 7.4036 5.70264 9.52857 8.59097 13.5603 6.6051 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.4036 5.70264 9.52857 5.44478 4.40652 8.15864 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 6.07433 6.18568 5.68212 12.8522 10.4465 7.2118 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 7.01146 7.75836 5.68212 13.0678 10.4465 7.2118 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 7.74952 5.63878 7.12701 10.8811 12.671 8.91354 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 8.99674 7.87363 7.12701 16.4904 12.671 8.91354 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 8.60172 7.47964 6.09256 11.2152 10.2375 6.1083 numMergedOcc 0
7 mol 105 unq 1 iso 0 dist 8.60172 11.7015 8.40598 13.8047 8.65154 6.11833 numMergedOcc 0
8 mol 105 unq 2 iso 0 dist 8.60172 11.7015 8.40598 17.2838 11.2367 7.12201 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.10479 5.49967 7.89317 8.58344 7.29711 9.84762 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.10479 5.49967 7.89317 5.68879 4.96177 5.2184 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 5.98187 7.73934 8.70616 11.0661 11.1697 9.92281 numMergedOcc 0
12 mol 123 unq 1 iso 0 dist 7.42186 10.495 8.70616 10.4351 11.1697 9.92281 numMergedOcc 0
13 mol 123 unq 2 iso 0 dist 9.47346 12.5686 8.70616 17.8484 11.1697 9.92281 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.01369 7.19462 8.91143 12.0191 14.2953 6.72718 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 7.27051 4.64973 8.14859 9.67207 13.2917 6.2016 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 7.35424 4.64973 5.62421 9.67207 10.3343 6.2016 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 6.21588 13.46 7.59757 22.629 16.9386 9.52029 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 9.68308 14.1389 9.58168 17.3237 11.2425 8.00386 numMergedOcc 0
19 mol 250 unq 0 iso 0 dist 9.5174 10.0941 5.92578 12.1294 4.45246 7.89067 numMergedOcc 0
20 mol 293 unq 0 iso 0 dist 8.60282 6.26633 6.67882 10.3468 5.82185 4.72125 numMergedOcc 0
21 mol 293 unq 1 iso 0 dist 8.60282 6.26633 6.67882 6.02106 4.27008 7.41524 numMergedOcc 0
22 mol 293 unq 2 iso 0 dist 8.60282 6.26633 6.67882 8.27274 5.75555 6.42608 numMergedOcc 0
