0 mol 5 unq 0 iso 0 dist 5.63583 9.8143 7.05332 6.89121 9.75695 8.81964 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 4.10339 7.23823 9.64155 6.73215 9.14828 6.63518 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 5.85076 7.38545 6.15302 5.60539 10.4663 8.42594 numMergedOcc 0
3 mol 86 unq 1 iso 0 dist 8.4254 8.8236 11.1987 5.80063 13.0521 9.67574 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 5.92576 7.08616 10.9185 3.74583 9.63742 7.10886 numMergedOcc 0
5 mol 87 unq 1 iso 0 dist 5.92576 7.83182 11.5146 3.74583 9.63742 7.83828 numMergedOcc 0
6 mol 87 unq 2 iso 0 dist 8.70472 4.58684 9.6714 7.32447 15.427 7.35921 numMergedOcc 0
7 mol 87 unq 3 iso 0 dist 8.70472 6.90348 8.07709 5.83034 12.2776 9.78949 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.15982 7.35639 14.849 6.15538 14.2236 6.67941 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.95717 8.98949 10.4812 5.7687 7.56704 6.45169 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.89671 9.13917 5.25819 5.08182 8.79837 5.92836 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 4.46578 6.53862 8.13581 7.587 9.31413 9.82274 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 4.46578 6.53862 8.13581 8.82521 13.1512 9.02712 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 6.45502 7.75233 8.35641 5.784 8.36163 9.08686 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 6.57198 9.83891 10.2379 6.1644 11.1063 7.62505 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 5.2376 9.92349 7.38726 5.4891 8.92113 9.57625 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 5.2376 9.70779 10.0087 15.2237 16.3144 9.984 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 5.2376 9.70779 10.0087 5.4891 8.92113 8.08702 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 7.19924 6.55222 6.18958 14.1404 10.5624 7.80073 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 8.89382 8.73768 9.03227 9.23603 12.5787 8.90691 numMergedOcc 0
20 mol 247 unq 0 iso 0 dist 6.56182 8.0367 10.3845 14.5151 12.5524 8.64941 numMergedOcc 0
21 mol 247 unq 1 iso 0 dist 5.32075 8.0367 6.75612 14.5151 15.1949 8.64941 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 9.73281 9.61808 5.64395 12.6476 9.47137 9.60855 numMergedOcc 0
