0 mol 12 unq 0 iso 0 dist 9.41745 7.4036 10.9547 6.10393 15.3822 9.1301 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.61029 6.32127 10.9837 9.47439 17.1042 8.01238 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 6.11985 6.13476 6.54052 numMergedOcc 0
3 mol 65 unq 0 iso 0 dist 9.9997 9.68286 5.51708 6.65154 9.75927 6.99979 numMergedOcc 0
4 mol 65 unq 1 iso 0 dist 9.38611 8.58416 6.47381 5.0053 10.5352 6.99979 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.28737 6.25276 4.3931 6.77871 7.63534 8.23534 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 7.47827 7.74952 4.57085 7.15993 8.00525 4.86532 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 10.3484 13.8338 6.34031 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.91446 6.6157 7.16919 8.28108 11.9049 6.34031 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 9.26343 6.6157 9.75737 8.28108 13.8338 6.34031 numMergedOcc 0
10 mol 125 unq 0 iso 0 dist 8.38646 8.6317 9.20086 5.29844 10.0351 5.05869 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.64856 8.74658 6.26504 7.19035 11.7668 8.9967 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 6.38977 8.74658 7.7567 7.19035 12.1672 8.9967 numMergedOcc 0
13 mol 131 unq 2 iso 0 dist 9.69757 8.74658 8.23791 7.19035 13.952 8.9967 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.96824 5.6688 6.29863 6.57868 9.50454 5.87853 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.25528 5.6688 5.6044 6.57868 7.15963 5.87853 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 9.05666 7.27051 12.717 8.2534 12.783 7.57117 numMergedOcc 0
17 mol 192 unq 1 iso 0 dist 9.05666 7.35424 14.8459 8.2534 12.783 9.9312 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 6.60651 6.67699 8.50224 6.29554 6.40064 9.42877 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 14.1382 6.73266 9.639 numMergedOcc 0
20 mol 204 unq 1 iso 0 dist 6.32652 6.21588 11.2903 14.1382 18.9314 9.639 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 7.26647 5.83338 7.86966 6.15322 6.85589 9.9247 numMergedOcc 0
22 mol 261 unq 1 iso 0 dist 7.7309 5.83338 6.65675 6.15322 6.68878 9.9247 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 9.58494 8.60481 9.96924 4.39811 9.65332 8.91606 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 7.70229 5.94224 8.2662 5.9433 7.34596 9.88071 numMergedOcc 0
25 mol 282 unq 1 iso 0 dist 7.90792 5.94224 6.6348 5.9433 7.12228 9.88071 numMergedOcc 0
