ACROSORGANICS-ZINC02516276
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 17  0  0  1  0  0  0  0  0999 V2000
    0.0560    1.6580   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1010    0.1380   -0.0620 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8260   -0.3810    1.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360   -0.3150    2.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2720   -0.5450    2.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8180   -0.4900   -1.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060    0.0120   -1.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0640    2.0870   -0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030    2.0010   -1.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5180    2.0800    0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1130   -1.4340    1.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580    0.1770    1.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5570   -0.0520    3.5280 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1230   -1.4530   -1.7700 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3310   -0.3710   -0.0480 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.0150    0.2490   -0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5990   -0.5650    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2710   -1.2530   -0.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  1  13  -1
M  CHG  1  14  -1
M  CHG  1  15   1
M  END