ACROSORGANICS-ZINC00043872
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0800    1.5370   -0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330    0.1430   -0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2050   -0.6060   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    0.0300   -0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4570    1.4270   -0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    2.1930   -0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7090    2.1330   -0.0160 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1140    2.3480    1.1340 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2430    2.5300   -1.0610 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6400   -0.6060    0.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270   -2.0390    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0670   -2.5380    0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7210   -2.6950   -0.7860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350    2.1060   -0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9210   -0.3690   -0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1130   -1.6870   -0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3410    3.2780   -0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0200   -2.3950    0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310   -2.4400   -0.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4140   -2.7690    1.4800 O   0  5  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 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  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  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  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  CHG  1  20  -1
M  END