0 mol 1 unq 0 iso 0 dist 7.59404 6.06669 5.55519 12.2868 9.76602 6.2936 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 8.67055 9.48375 13.3383 6.25033 14.1836 7.96312 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 8.67055 6.85127 9.25156 6.25033 14.1836 7.67129 numMergedOcc 0
3 mol 27 unq 2 iso 0 dist 6.25236 9.48375 12.6088 6.25033 11.0967 7.96312 numMergedOcc 0
4 mol 27 unq 3 iso 0 dist 6.25236 6.85127 7.63122 6.25033 11.0967 7.67129 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 8.67331 4.70371 6.64709 9.10397 13.7878 9.89804 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 8.50163 4.70371 8.03646 9.10397 6.66861 9.89804 numMergedOcc 0
7 mol 123 unq 0 iso 0 dist 9.99172 7.63425 5.8424 9.82161 13.4381 9.04549 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 8.6499 8.60157 14.6035 6.57631 11.0479 6.86997 numMergedOcc 0
9 mol 148 unq 1 iso 0 dist 8.6499 8.60157 14.6035 8.40891 9.80819 7.46919 numMergedOcc 0
10 mol 148 unq 2 iso 0 dist 8.6499 8.60157 14.6035 11.7674 13.8707 8.24581 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 8.75339 8.59359 14.6751 6.56068 11.1963 6.79381 numMergedOcc 0
12 mol 150 unq 1 iso 0 dist 8.75339 8.59359 14.6751 8.32178 9.81665 7.36989 numMergedOcc 0
13 mol 150 unq 2 iso 0 dist 8.75339 8.59359 14.6751 11.7699 13.8927 8.17805 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 8.63375 9.66591 6.32826 9.42295 9.76987 8.11292 numMergedOcc 0
15 mol 162 unq 1 iso 0 dist 7.99105 9.66591 11.2056 9.42295 14.222 8.11292 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 9.66909 5.99974 12.7382 5.27811 12.505 7.37823 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 8.82838 4.90334 5.55359 8.72246 11.7905 9.46973 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 8.17025 4.90334 4.72843 8.72246 8.62191 9.46973 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 6.54042 7.6174 9.96567 8.00084 12.7784 5.3747 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 8.31953 9.48559 11.2255 3.5882 10.9277 8.30195 numMergedOcc 0
