BA1399.sdf
  ChemDraw01222616272D

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.799193 -0.287992 0.000000 0
M  V30 2 O -2.774116 -1.112611 0.000000 0
M  V30 3 C -2.047436 -1.503203 0.000000 0
M  V30 4 C -1.345834 -1.069175 0.000000 0
M  V30 5 N -1.370911 -0.244557 0.000000 0
M  V30 6 C -2.097591 0.146035 0.000000 0
M  V30 7 O 0.082448 -1.025740 0.000000 0
M  V30 8 C 0.057371 -0.201121 0.000000 0
M  V30 9 C -0.669309 0.189470 0.000000 0
M  V30 10 N 1.485652 -0.157686 0.000000 0
M  V30 11 C 0.758973 0.232906 0.000000 0
M  V30 12 C 1.596788 -0.975167 0.000000 0
M  V30 13 N 2.408601 -1.122085 0.000000 0
M  V30 14 C 2.799193 -0.395406 0.000000 0
M  V30 15 C 2.228779 0.200626 0.000000 0
M  V30 16 C 1.000757 -1.545580 0.000000 0
M  V30 17 O 1.746106 1.545580 0.000000 0 CHG=-1
M  V30 18 N 2.375697 1.012439 0.000000 0 CHG=1
M  V30 19 O 1.746106 1.545580 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 18 19
M  V30 2 1 15 18
M  V30 3 1 17 18
M  V30 4 1 1 2
M  V30 5 1 2 3
M  V30 6 1 3 4
M  V30 7 1 4 5
M  V30 8 1 5 6
M  V30 9 1 6 1
M  V30 10 1 7 8
M  V30 11 1 8 9
M  V30 12 1 9 5
M  V30 13 1 10 11
M  V30 14 1 11 8
M  V30 15 1 10 12
M  V30 16 2 12 13
M  V30 17 1 13 14
M  V30 18 2 14 15
M  V30 19 1 15 10
M  V30 20 1 12 16
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 18 19) XBONDS=(2 2 3) LABEL="N\S+\nO" CSTATE=(4 2 -
M  V30 -0.146919 -0.811813 0) CSTATE=(4 3 -0.629591 0.533141 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
$$$$
