PUBCHEM-ZINC04530731
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 28 28  0  0  1  0  0  0  0  0999 V2000
   -0.0170    1.4250    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520   -0.5700   -1.1380 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6600   -0.1660   -1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7230   -2.0920   -0.9820 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2490   -2.3390   -0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6990   -2.6590   -0.9280 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2140   -2.2680   -0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4520   -2.2390   -2.1930 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4820   -2.5920   -2.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4400   -0.7120   -2.3030 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9630   -0.2820   -1.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0880   -0.2480   -2.3170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1390   -0.2880   -3.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2300    1.1380   -3.6420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8140   -2.8070   -3.3390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6420   -4.0850   -0.8530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380   -2.6680   -2.1230 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5260   -2.4320   -2.2820 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6130   -2.1960   -2.4410 N   0  5  0  0  0  0  0  0  0  0  0  0
    1.0050    1.8020    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    1.7860   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280    1.7760    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5660   -0.6430   -4.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1400   -0.7170   -3.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6640    1.4780   -4.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -2.5820   -4.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720   -4.4200   -0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  2  0  0  0  0
M  CHG  1  19   1
M  CHG  1  20  -1
M  END