379
 OpenBabel09292113272D

 22 23  0  0  1  0  0  0  0  0999 V2000
   -4.7433    1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8479    0.9538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0388    0.3660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0878    0.6750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7788    1.6261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.1340    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0878   -0.9430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0388   -0.6340    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8479   -1.2218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7433   -2.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5523   -2.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4659   -2.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2749   -2.9851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5704   -1.4028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7614   -0.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8659    0.1795    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  2  11  -1  12  -1
M  END
>  <Source>
MODOMICS database http://genesilico.pl/modomics/

$$$$
