C9H8O4
NCtclcactv06092604333D 0   0.00000     0.00000
 
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 21 0 0 0 
M  V30 BEGIN ATOM
M  V30 1 C 2.23927 -0.379063 0.262961 0
M  V30 2 C 0.842418 1.92307 -0.424949 0
M  V30 3 C 2.87093 0.845574 0.272238 0
M  V30 4 C 2.17512 1.99353 -0.0703496 0
M  V30 5 C -3.48376 0.495315 -0.0895826 0
M  V30 6 C 0.89097 -0.464746 -0.093876 0
M  V30 7 C 0.190846 0.699129 -0.440244 0
M  V30 8 O -0.96331 -1.84252 -0.418542 0
M  V30 9 O -1.65307 0.888854 1.34063 0
M  V30 10 O 0.885744 -2.88833 0.226742 0
M  V30 11 C 0.208961 -1.77197 -0.10692 0
M  V30 12 C -2.01852 0.685348 0.207084 0
M  V30 13 O -1.11888 0.628498 -0.788551 0
M  V30 14 H 0.396217 -3.72194 0.20347 0
M  V30 15 H 2.78666 -1.27191 0.526773 0
M  V30 16 H 0.306931 2.82242 -0.691086 0
M  V30 17 H 3.91304 0.910836 0.548169 0
M  V30 18 H 2.67811 2.94919 -0.0603621 0
M  V30 19 H -3.73599 -0.562262 -0.012041 0
M  V30 20 H -4.07631 1.06367 0.627322 0
M  V30 21 H -3.69878 0.847085 -1.09861 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 6 7
M  V30 2 1 1 6
M  V30 3 1 6 11
M  V30 4 1 2 7
M  V30 5 1 7 13
M  V30 6 2 1 3
M  V30 7 1 10 11
M  V30 8 2 8 11
M  V30 9 2 2 4
M  V30 10 1 12 13
M  V30 11 1 5 12
M  V30 12 2 9 12
M  V30 13 1 3 4
M  V30 14 1 1 15
M  V30 15 1 2 16
M  V30 16 1 3 17
M  V30 17 1 10 14
M  V30 18 1 4 18
M  V30 19 1 5 19
M  V30 20 1 5 20
M  V30 21 1 5 21
M  V30 END BOND
M  V30 END CTAB
M  END
$$$$