ACROSORGANICS-ZINC00119466
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0400    1.2860    0.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410   -0.0560    0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2710   -0.6770    0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -2.0520   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580   -2.6180   -0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7210   -1.8530   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6840   -0.5130   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500    0.1080    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3810    1.4160    0.5020 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370    1.9980    0.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300    0.2170   -0.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1240   -2.8830   -0.0150 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1610   -4.0180    0.4240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9200   -2.4310   -0.4480 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8870    1.7940    1.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8770   -0.6250    0.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140   -3.6760   -0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6670   -2.3260   -0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    3.0590    0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450    0.5940   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  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 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  12   1
M  CHG  1  14  -1
M  END