SIAL-ZINC04529439
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.4250    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -0.6180    1.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    0.1370    2.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -0.4890    3.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990   -1.8710    3.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260   -2.6370    2.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780   -2.0170    1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1030   -2.7710    0.1160 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520   -4.0090    0.1740 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4590    0.3230    4.1750 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4100    1.5390    4.1240 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0180   -0.2250    5.1080 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0050    1.8020    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    1.7860   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280    1.7760    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1650    1.2150    2.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970   -2.3510    3.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -3.7140    2.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560   -4.5430   -0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  1  11   1
M  CHG  1  13  -1
M  END