PUBCHEM-ZINC05191253
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  1  0  0  0  0  0999 V2000
    0.4270    1.2950    0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040    0.0010   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2170   -0.4500   -1.0650 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8910   -0.9550   -1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8800    0.8360   -1.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.6540   -0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0400    0.7680   -1.9720 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4770    1.8930   -2.2430 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1490   -1.4020   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2390   -1.1870    0.9830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090    2.0830    0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920    1.1620    1.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3390   -0.7460    0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350    0.2130   -0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400    2.7270   -0.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840    1.4190    0.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -2.3170   -0.9490 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
M  CHG  1  17  -1
M  END