PUBCHEM-ZINC06094425
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0570    1.3510    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0480   -0.0480    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850   -0.7270   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5570   -2.1040   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9310   -2.1500   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4150   -0.8750   -0.0340 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3920   -0.5930   -0.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3640    0.0230   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930    1.4310   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380    2.0710   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6860    2.2090   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7660    1.5340   -0.0500 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7630   -3.3310   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830   -4.4620   -0.0330 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0050    1.8830    0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9810   -0.6020    0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8980   -2.9610   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1020    3.1600   -0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    3.4780   -0.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0190   -3.1400   -0.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
M  CHG  1  12  -1
M  CHG  1  14  -1
M  END