PUBCHEM-ZINC03067791
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3760    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210   -0.6860   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.0330   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3870    1.4190   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    2.0880    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8930    2.3330   -0.0220 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2380    4.0200   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8260    5.0790    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -0.6820   -0.0360 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2360   -0.9710   -1.0980 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2560   -0.9820    1.0120 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2440   -2.1630   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3050   -2.7540   -0.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600    1.9010    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260   -0.5570    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470    3.1680    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0880   -2.8550   -0.0130 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1540   -3.8200   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  1  10   1
M  CHG  1  12  -1
M  END