ACROSORGANICS-ZINC02567955
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3780    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
    1.2080   -0.6790   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    0.0280   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770    1.4110   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    2.0860    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1510    3.5660    0.0100 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0880    4.1600    0.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1970    4.1890    0.0030 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6880   -0.6940   -0.0360 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7040   -1.9120   -0.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7340   -0.0710   -0.0440 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2930   -0.7750    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150   -1.0120   -1.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590    1.9050    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2230   -1.7590   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3050    1.9630   -0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1440   -1.7280    0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550   -0.1990    0.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5440   -1.5050   -1.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  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 17  1  0  0  0  0
  6  7  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  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  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