PUBCHEM-ZINC05196771
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 22 22  0  0  0  0  0  0  0  0999 V2000
   -0.6060    1.4790    1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5940   -0.0280    1.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0800   -0.6410    1.9490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1560   -0.6940    0.0090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0520   -2.0870   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990   -2.8670   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0930   -4.2420   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8480   -4.8430   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960   -4.0690   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1970   -2.6930   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380   -6.3170   -0.2760 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7440   -7.0000   -0.3440 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3580   -6.8480   -0.2690 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.0170   -0.9990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1100    1.8350    1.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0800    1.8570    0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6360    1.8350    1.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1720   -2.3990   -0.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9840   -4.8500   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670   -4.5420   -0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910   -2.0890   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2180   -0.5460   -1.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  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 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 22  1  0  0  0  0
M  CHG  1  11   1
M  CHG  1  13  -1
M  END