0 mol 20 unq 0 iso 0 dist 7.84796 6.71051 6.4934 10.2801 5.48225 5.9809 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.84796 6.71051 6.4934 12.3753 9.03258 5.83917 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.84657 5.1402 6.93199 10.9104 7.06175 5.9809 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 9.84657 5.1402 6.93199 8.9775 3.79581 5.83917 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.15677 15.7188 6.73162 9.71123 7.11305 9.96121 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.61029 7.95969 6.73162 7.54282 7.11305 9.96121 numMergedOcc 0
6 mol 27 unq 0 iso 0 dist 8.28463 3.71754 9.77484 9.21811 9.11842 6.78936 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 8.52969 12.9126 8.26899 14.4142 6.20618 7.60018 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.52969 12.9126 8.26899 13.6379 5.61579 7.03126 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 8.28737 12.2209 8.19682 19.4128 15.4159 9.4866 numMergedOcc 0
10 mol 86 unq 0 iso 0 dist 7.26032 11.9674 7.79359 11.9644 5.9022 5.88159 numMergedOcc 0
11 mol 86 unq 1 iso 0 dist 5.49793 4.51657 7.79359 7.19148 5.9022 5.88159 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 9.41387 6.69306 6.62561 15.361 7.20875 9.94053 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.32004 4.91188 6.19042 9.9292 6.20019 6.13374 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.32004 7.01214 7.44174 13.3518 12.4621 6.55202 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 8.32004 7.01214 7.44174 9.9292 6.20019 9.08536 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 8.14907 7.79621 7.39644 11.7291 7.10286 5.36254 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 8.50904 14.6248 9.31887 12.7244 5.00913 9.76114 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 6.31492 5.37421 6.73313 8.45614 4.88992 5.73635 numMergedOcc 0
19 mol 182 unq 1 iso 0 dist 7.8621 13.0784 6.73313 12.5016 4.88992 5.73635 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 9.06306 6.32328 8.45368 7.31478 4.72944 5.461 numMergedOcc 0
21 mol 213 unq 1 iso 0 dist 6.82185 10.693 6.0965 15.0432 10.1881 8.65196 numMergedOcc 0
22 mol 213 unq 2 iso 0 dist 6.82185 12.9129 9.59129 15.0432 10.1881 5.461 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 5.52981 6.48676 7.17547 14.4484 15.6802 8.61306 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 6.22077 6.21463 9.50586 14.4484 13.7327 9.59426 numMergedOcc 0
25 mol 218 unq 2 iso 0 dist 6.22077 6.48676 7.13323 14.4484 13.7327 8.61306 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 7.69537 11.3668 8.19953 10.9012 5.13732 5.73591 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 7.90792 6.63358 7.32347 9.07173 5.29852 7.52924 numMergedOcc 0
