NCID-ZINC04202243
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3750    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
    1.2230   -0.6820   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160    0.0410   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3830    1.4210   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1700    2.0860    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6480    2.1900   -0.0200 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6200    3.4070   -0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7160    1.6050   -0.0330 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7150   -0.6690   -0.0360 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2390   -0.9560   -1.0980 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2590   -0.9670    1.0120 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.1600   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3140   -2.7470   -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
   -0.9250   -0.5580    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    3.1660    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970   -2.8550   -0.0130 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1660   -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  2  0  0  0  0
  7  9  1  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   7   1
M  CHG  1   9  -1
M  CHG  1  10   1
M  CHG  1  12  -1
M  END