ACROSORGANICS-ZINC04261808
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.1940    1.6050    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1430    0.3140    0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1400   -0.5880    0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1870   -0.1980   -0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2380    1.0930   -0.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2410    1.9950   -0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3600    1.5110   -1.6900 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.8340    2.6270   -1.5790 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    0.7380   -2.5170 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2550   -1.1630   -0.6740 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9760   -2.3290   -0.8910 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4130   -0.7920   -0.7410 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5880    2.3080    0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6760    0.0090    1.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -1.5970    0.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2810    3.0040   -0.8790 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 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  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  7  1  0  0  0  0
  6 16  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
M  CHG  1   7   1
M  CHG  1   9  -1
M  CHG  1  10   1
M  CHG  1  12  -1
M  END