mol 1 
atom 1 - C - - 0 2.23927 -0.379063 0.262961 3 6 a 3 a 15 s
atom 2 - C - - 0 0.842418 1.92307 -0.424949 3 7 a 4 a 16 s
atom 3 - C - - 0 2.87093 0.845574 0.272238 3 1 a 4 a 17 s
atom 4 - C - - 0 2.17512 1.99353 -0.0703496 3 2 a 3 a 18 s
atom 5 - C - - 0 -3.48376 0.495315 -0.0895826 4 12 s 19 s 20 s 21 s
atom 6 - C - - 0 0.89097 -0.464746 -0.093876 3 7 a 1 a 11 s
atom 7 - C - - 0 0.190846 0.699129 -0.440244 3 6 a 2 a 13 s
atom 8 - O - - 0 -0.96331 -1.84252 -0.418542 1 11 d
atom 9 - O - - 0 -1.65307 0.888854 1.34063 1 12 d
atom 10 - O - - 0 0.885744 -2.88833 0.226742 2 11 s 14 s
atom 11 - C - - 0 0.208961 -1.77197 -0.10692 3 6 s 10 s 8 d
atom 12 - C - - 0 -2.01852 0.685348 0.207084 3 13 s 5 s 9 d
atom 13 - O - - 0 -1.11888 0.628498 -0.788551 2 7 s 12 s
atom 14 - H - - 0 0.396217 -3.72194 0.20347 1 10 s
atom 15 - H - - 0 2.78666 -1.27191 0.526773 1 1 s
atom 16 - H - - 0 0.306931 2.82242 -0.691086 1 2 s
atom 17 - H - - 0 3.91304 0.910836 0.548169 1 3 s
atom 18 - H - - 0 2.67811 2.94919 -0.0603621 1 4 s
atom 19 - H - - 0 -3.73599 -0.562262 -0.012041 1 5 s
atom 20 - H - - 0 -4.07631 1.06367 0.627322 1 5 s
atom 21 - H - - 0 -3.69878 0.847085 -1.09861 1 5 s
endmol 1