# ATOMDATA Id type x=3 u=3 F=3 # Box 20 0 0 0 20 0 0 0 20 1 C 5.89 6.513 5.89 0 0 0 -0.00161434 -0.00490854 -1.10408e-13 2 C 7.139 5.63 5.89 0 0 0 -0.00299896 0.00787442 -1.511e-13 3 H 5.89 7.142 5 0 0 0 -0.00213528 -0.000289904 0.00251064 4 H 5.89 7.142 6.78 0 0 0 -0.00213528 -0.000289904 -0.00251064 5 H 7.139 5 5 0 0 0 0.000254991 -0.000726836 0.00279816 6 H 7.139 5 6.78 0 0 0 0.000254991 -0.000726836 -0.00279816 7 C 8.388 6.513 5.89 0 0 0 -0.000234367 -0.0118817 -1.6438e-13 8 C 9.638 5.63 5.89 0 0 0 0.000234232 0.0115391 -1.55545e-13 9 H 8.388 7.142 5 0 0 0 -5.97387e-05 0.000821868 0.00242643 10 H 8.388 7.142 6.78 0 0 0 -5.97387e-05 0.000821868 -0.00242643 11 H 9.638 5 5 0 0 0 5.95858e-05 -0.000650729 0.00254668 12 H 9.638 5 6.78 0 0 0 5.95858e-05 -0.000650729 -0.00254668 13 C 10.887 6.513 5.89 0 0 0 0.00299486 -0.00822198 -1.35631e-13 14 C 12.136 5.63 5.89 0 0 0 0.0016146 0.00459057 -1.39543e-13 15 H 10.887 7.142 5 0 0 0 -0.00025431 0.000898036 0.00267787 16 H 10.887 7.142 6.78 0 0 0 -0.00025431 0.000898036 -0.00267787 17 H 12.136 5 5 0 0 0 0.00213567 0.000462277 0.00263267 18 H 12.136 5 6.78 0 0 0 0.00213567 0.000462277 -0.00263267 19 H 5 5.884 5.89 0 0 0 -0.000456201 0.00402573 -1.54302e-15 20 H 13.026 6.259 5.89 0 0 0 0.00045834 -0.00404705 -6.30882e-16