PUBCHEM-ZINC05157176
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 21  0  0  1  0  0  0  0  0999 V2000
   -0.4250    1.7170    0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5870    0.2080    0.3000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4380   -0.1560    0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470   -0.3110    0.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0070    1.9770   -0.0330 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0820    2.1830   -1.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290    3.0710    0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640    2.5860    1.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7340   -0.1250   -1.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280   -1.5810   -1.3930 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8770   -1.3800   -0.9770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1330    2.2580   -0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5810    2.0420    1.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8430   -0.2000    1.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -1.3100    0.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7230    0.6390    0.1940 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5210    0.9210    0.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0760    0.2700   -0.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    4.2220    0.7940 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1960   -1.7580   -2.8850 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6470   -2.5430   -0.5080 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  1  16   1
M  CHG  1  19  -1
M  CHG  1  20  -1
M  CHG  1  21  -1
M  END