0 mol 2 unq 0 iso 0 dist 5.5745 8.5893 8.75089 9.10747 6.32102 14.8269 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 5.5745 8.5893 8.75089 9.45683 7.91536 11.2497 numMergedOcc 0
2 mol 2 unq 2 iso 0 dist 5.5745 8.29974 8.39246 9.10747 6.32102 12.658 numMergedOcc 0
3 mol 2 unq 3 iso 0 dist 5.5745 8.29974 8.39246 9.45683 7.91536 6.03463 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 7.11633 8.77401 9.24758 9.47968 6.38533 13.7809 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 7.74197 6.64933 11.9839 8.87924 5.31226 11.2654 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 7.74197 8.67727 11.2929 8.87924 5.31226 10.7484 numMergedOcc 0
7 mol 88 unq 2 iso 0 dist 7.86537 6.64933 10.6664 8.87924 9.61103 11.2654 numMergedOcc 0
8 mol 88 unq 3 iso 0 dist 7.86537 8.67727 9.259 8.87924 9.61103 10.7484 numMergedOcc 0
9 mol 88 unq 4 iso 0 dist 6.35462 6.64933 4.79268 8.87924 7.48682 11.2654 numMergedOcc 0
10 mol 88 unq 5 iso 0 dist 6.35462 8.67727 6.3984 8.87924 7.48682 10.7484 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.82535 6.29634 7.64945 6.1835 4.68219 7.55212 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 6.18763 6.29634 7.36889 6.1835 5.75886 7.55212 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 8.44385 6.29634 4.55137 6.1835 8.65129 7.55212 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 5.63005 6.29634 6.42493 6.1835 6.4739 7.55212 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 5.59806 6.00793 6.38496 9.17387 5.48292 8.73305 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.80299 9.21553 5.04574 9.47421 14.9475 12.7894 numMergedOcc 0
17 mol 251 unq 0 iso 0 dist 8.39644 9.29007 7.41935 8.38382 14.7239 10.6296 numMergedOcc 0
18 mol 251 unq 1 iso 0 dist 9.228 6.32455 8.56132 9.08038 7.35563 12.2548 numMergedOcc 0
19 mol 251 unq 2 iso 0 dist 7.4878 6.32455 7.703 9.08038 6.26359 12.2548 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 8.12852 9.58747 10.4209 6.64472 6.03386 5.88266 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 8.12852 7.50074 12.6608 6.64472 6.03386 7.24378 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.09967 9.35835 6.74599 9.91748 8.99212 5.6168 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 8.49076 9.35835 12.292 9.91748 8.33977 5.6168 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 8.11838 5.56721 6.2159 5.70326 4.67953 7.30503 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 7.88897 5.56721 4.39241 5.70326 8.29849 7.30503 numMergedOcc 0
