PUBCHEM-ZINC05517955
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0640    1.3940   -0.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830    0.0000   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330   -0.6860   -0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4210    0.0180   -0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4020    1.4350   -0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1950    2.1090   -0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900    2.1390   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7400    1.4530    0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7590    0.0600    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270   -0.6560   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6840   -2.7500   -0.0250 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900    3.6190   -0.0130 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5430    4.2300   -0.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6390    4.2270    0.4450 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8600    1.9140   -0.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8290   -0.5440   -0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320   -1.7660   -0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1660    3.1880   -0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6510    1.9970    0.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6840   -0.4600    0.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  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 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  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