PUBCHEM-ZINC05424586
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 31  0  0  0  0  0  0  0  0999 V2000
   -0.0120    1.4550    0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0050    0.0030   -0.1040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040   -0.7170   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4130   -0.0440    0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5960   -0.7540    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5770   -2.1410    0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3680   -2.8140   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1860   -2.1040   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1020   -2.8210   -0.2420 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1740   -3.8200   -0.9360 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0900   -2.4120    0.3400 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.7760   -2.8610    0.1380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7560   -4.3250    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0510   -2.1510    0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6040   -1.8430   -1.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9180   -3.0670   -1.7970 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0060    1.8370    0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6370    1.9200   -0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4100    1.6890    1.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8300   -0.4600   -0.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4280    1.0350    0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5360   -0.2300    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3530   -3.8930   -0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6720   -4.7310    1.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6770   -4.6810   -0.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9020   -4.6510   -0.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7610   -2.7740    0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8950   -1.2190    0.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5060   -1.2380   -1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8570   -1.2960   -1.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2740   -2.9480   -2.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  CHG  1   9   1
M  CHG  1  11  -1
M  END