0 mol 18 unq 0 iso 0 dist 6.39307 5.3982 8.43157 8.24798 4.95319 6.72533 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.39307 5.3982 8.43157 8.02079 6.19959 8.29216 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.69574 10.6588 8.81519 11.4933 5.52643 5.90391 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 8.69574 10.6588 8.81519 16.2868 9.18139 8.82771 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 9.47964 13.6309 8.23389 16.3976 9.86951 7.75237 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 7.55644 4.93796 8.68698 13.5812 14.2364 9.14778 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 9.14068 9.40297 5.60118 17.1714 8.96376 9.24001 numMergedOcc 0
7 mol 108 unq 1 iso 0 dist 7.90433 5.53105 5.60118 14.0581 8.96376 9.24001 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.10803 10.872 6.39945 13.149 5.02595 9.29439 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 5.82945 6.44931 6.98077 13.2063 10.4659 9.74763 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 9.72263 6.57343 8.87876 13.9461 8.81502 8.39634 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.18289 9.45075 7.7734 8.52322 9.00121 8.40343 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 8.8637 12.9121 7.578 17.8105 10.2336 7.72242 numMergedOcc 0
13 mol 207 unq 0 iso 0 dist 6.50724 9.63971 6.06003 12.1809 6.68112 4.55528 numMergedOcc 0
14 mol 219 unq 0 iso 0 dist 6.52136 6.90398 8.38773 13.6512 11.321 7.98941 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 7.63381 7.04644 7.69491 9.87224 8.15025 4.21935 numMergedOcc 0
16 mol 247 unq 0 iso 0 dist 9.01651 9.83927 7.95874 15.8059 16.1686 9.48468 numMergedOcc 0
17 mol 247 unq 1 iso 0 dist 8.83903 5.40081 7.95874 13.8086 16.1686 9.48468 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 7.59142 12.8668 8.9352 5.90456 5.03816 8.36655 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 7.59142 12.3885 5.8845 8.34154 7.51644 8.76889 numMergedOcc 0
20 mol 279 unq 2 iso 0 dist 7.59142 12.3885 5.8845 9.07176 3.75346 7.04397 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 7.60738 10.4435 9.33418 11.7872 5.15758 8.3398 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 7.81241 5.49773 5.05882 5.96202 5.83652 6.15136 numMergedOcc 0
