PUBCHEM-ZINC05116578
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.0180    1.4610    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240   -0.8290    1.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0360   -2.0930    0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230   -2.0580   -0.6950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030   -0.8080   -1.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0350   -0.2630   -2.7720 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0260   -1.8610   -3.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0320   -0.4040    2.5230 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0200    0.7810    2.8040 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0520   -1.2400    3.4090 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0050    1.8380    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5450    1.8220   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280    1.8120    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0540   -2.9850    1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0440   -1.7000   -4.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -2.4120   -3.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9050   -2.4350   -3.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  1   9   1
M  CHG  1  11  -1
M  END