PUBCHEM-ZINC05845266
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3850    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
    1.2310   -0.7090   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    0.0420   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3850    1.4300   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1560    2.1020    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210    3.5820    0.0100 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0350    4.2130    0.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2450    4.2680    0.0030 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5920   -0.8700   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8710   -2.4840   -0.0360 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3820   -2.0370   -0.0210 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8860   -0.5470   -0.0460 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620    1.9070    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9290   -0.5520    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3060    1.9940   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1540    0.3850   -0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5600   -1.2450   -0.0560 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 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  END