
     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.4393   -4.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1111   -4.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2339   -5.7143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9303   -3.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0782   -1.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0782   -1.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9303   -3.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1111   -4.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5792   -6.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7271   -4.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5463   -3.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4564   -7.1169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -7.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4564   -7.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7565   -8.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6337   -9.5812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337  -11.0509    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2338  -12.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034  -10.7509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360  -11.3510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793   -9.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3020   -8.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0020   -6.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -6.1222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 23 26  2  0
 21 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30  2  1  0
 11  6  1  0
 17 12  1  0
 30 20  1  0
M  ISO  2   1   2   3   2
M  END
