0 mol 20 unq 0 iso 0 dist 8.98326 11.5372 5.83917 16.042 9.03258 6.4934 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.98326 11.5372 5.83917 12.5983 3.79581 6.93199 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 9.24767 5.40424 9.35562 11.2749 14.0241 6.08338 numMergedOcc 0
3 mol 39 unq 0 iso 0 dist 6.17708 6.16075 7.30265 12.7499 10.2083 7.45237 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.20886 5.94737 9.437 5.48831 7.07356 7.321 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 9.73435 12.1059 6.53824 14.5784 6.19288 8.624 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 9.73435 12.1059 6.53824 9.43143 4.03844 6.77912 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.28726 11.1361 9.4866 12.1505 5.31985 6.21982 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 9.28726 11.1361 9.4866 19.3033 15.4159 8.19682 numMergedOcc 0
9 mol 86 unq 0 iso 0 dist 9.32256 10.4398 5.88159 11.0739 5.9022 7.79359 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 7.84956 6.33328 9.84457 8.49531 10.2496 8.67367 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 8.54304 10.4008 7.65255 13.352 6.95773 7.64585 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 8.46046 5.5203 8.62366 12.0642 12.4131 7.93331 numMergedOcc 0
13 mol 173 unq 1 iso 0 dist 8.46046 5.5203 8.62366 12.3765 12.5815 6.98095 numMergedOcc 0
14 mol 173 unq 2 iso 0 dist 8.46046 5.5203 8.62366 10.8819 8.63452 8.31897 numMergedOcc 0
15 mol 173 unq 3 iso 0 dist 7.48065 5.5203 6.52508 12.0642 6.91529 7.93331 numMergedOcc 0
16 mol 173 unq 4 iso 0 dist 7.48065 5.5203 6.52508 12.3765 9.44845 6.98095 numMergedOcc 0
17 mol 173 unq 5 iso 0 dist 7.48065 5.5203 6.52508 10.8819 3.74688 8.31897 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 8.5093 10.7731 5.73635 10.6586 4.88992 6.73313 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 6.27266 7.08314 5.87439 12.0897 6.04871 8.36117 numMergedOcc 0
20 mol 195 unq 1 iso 0 dist 6.27266 11.4003 8.18059 12.0897 6.04871 6.77578 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 9.6753 11.3913 5.93063 13.173 4.7456 5.50387 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 8.56943 9.68695 8.27411 11.234 3.95629 9.5707 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 8.56943 12.9682 7.36208 13.8384 5.53885 6.25105 numMergedOcc 0
24 mol 234 unq 2 iso 0 dist 8.56943 12.9682 7.36208 11.234 3.95629 7.85175 numMergedOcc 0
25 mol 234 unq 3 iso 0 dist 9.73257 12.9545 9.11572 16.6604 13.1872 6.16063 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 7.64703 11.6682 6.66172 11.6773 8.87855 9.19234 numMergedOcc 0
