PUBCHEM-ZINC03136831
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 26 26  0  0  1  0  0  0  0  0999 V2000
   -0.0210    1.5010    0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010   -0.0050    0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550   -0.5930   -0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2930   -0.7780    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9920   -2.2770   -0.0010 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3610   -2.4950   -0.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830   -3.0460   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -3.6040    1.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0420   -4.3090    0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6520   -4.4560   -0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0770   -3.8970   -1.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   -3.1880   -1.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2820   -2.5850   -2.5530 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.8650   -2.6320   -3.6210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1940   -2.0420   -2.4760 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3130   -2.6620    1.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0010    1.8800    0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5590    1.8800   -0.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5210    1.8340    0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8490   -0.5460    0.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8880   -0.5000   -0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3820   -3.4890    1.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4910   -4.7460    1.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5760   -5.0070   -0.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5530   -4.0120   -2.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170   -2.4970    2.0050 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  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  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  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 26  1  0  0  0  0
M  CHG  1  13   1
M  CHG  1  15  -1
M  END