PUBCHEM-ZINC02582469
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 22 22  0  0  1  0  0  0  0  0999 V2000
   -0.5440    1.4870    0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0100    0.0930    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690   -0.5180    1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850   -1.8050    1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400   -2.4890   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910   -1.8880   -1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1360   -0.5950   -1.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1920   -2.6120   -2.4860 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0410   -1.8870   -3.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4130   -3.4880   -2.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1190   -4.7000   -3.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120    2.2110    0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4440    1.6230   -0.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8210    1.6980    1.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970    0.0050    2.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7050   -2.2780    1.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -3.4930   -0.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6570   -0.1240   -1.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5270   -2.8980   -3.0160 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0190   -3.4840   -2.4280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9910   -3.9690   -1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7780   -4.2550   -3.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  1  19  -1
M  END