ASINEX-ZINC04992771
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0450    1.6760   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0050   -0.1040    0.0110 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710   -0.5570    1.1520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3710   -0.5120   -0.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -0.4940   -1.4050 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2390   -0.0720   -1.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.8770   -2.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080   -0.4530   -2.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7390    0.5280   -2.2860 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    2.0170    0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3900    2.0260   -0.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5520    2.0360    0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630   -0.4470   -2.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2550    0.9960   -1.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850   -0.2310   -0.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8540   -1.9450   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2940   -0.7520   -3.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8940   -1.1450   -3.8320 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
M  CHG  1  18  -1
M  END