NCID-ZINC01688238
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
    0.1960    1.5150    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1720    0.0170    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.7400    1.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1280   -2.1440    1.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340   -2.8340   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1410   -2.0630   -1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1610   -0.6660   -1.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710   -4.3310   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7650   -4.9400    0.8290 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0270   -2.8500    2.4650 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9860   -2.7440    3.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0590   -3.3910    2.7210 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0870    1.9090   -0.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.9360   -0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2220    1.8620    1.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420   -0.2410    2.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1410   -2.5610   -2.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1730   -0.0210   -2.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3680   -4.8580   -1.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1720    0.9370   -2.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  1   9  -1
M  CHG  1  10   1
M  CHG  1  12  -1
M  END