PUBCHEM-ZINC06416219
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  1  0  0  0  0  0999 V2000
   -0.2170    1.1490    0.2040 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4400    0.1140    0.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040    1.3350    0.0780 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5490    2.3720   -0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0440    1.0270    1.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1450    0.4710    1.4010 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4270    1.4640    2.5200 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240    0.4790   -0.9410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9530    1.4960   -1.1050 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5950    0.9110   -1.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4480    1.2240   -0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8470    1.8230    0.2430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7830    2.8990   -1.3900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7010    2.0080    1.2750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7030    2.0290    1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980    1.9070    2.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7840    0.4040   -0.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2960    3.3590   -0.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0580    0.4670   -1.6090 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0860    1.2660    3.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8960    0.7920    3.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 16  1  0  0  0  0
  7 20  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  1  19  -1
M  END