CHEMDIV-ZINC03844503
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.0130    1.0860    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7420    1.5850   -1.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0470    1.7810   -1.1470 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.7330    2.2280   -2.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    2.4810   -3.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    2.2620   -3.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0570    1.8200   -2.3190 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    2.4930   -4.5520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7650    2.9720   -4.6020 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.9680    3.1580   -4.5590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1510    3.1890   -5.6310 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.0570    2.4240   -2.1430 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0100    1.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.4370    0.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9010    1.6680   -2.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5170    1.6020   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  1   3   1
M  CHG  1   9   1
M  CHG  1  11  -1
M  CHG  1  12  -1
M  END