PUBCHEM-ZINC03870103
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 30  0  0  1  0  0  0  0  0999 V2000
   -0.3760    1.3450   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040   -0.1740   -0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4960   -0.9470    0.1110 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8990   -0.6420    1.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0510   -2.4420    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4210   -3.1410   -0.8080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360   -0.7310   -0.9090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4130    0.3320   -0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4420    1.2070   -0.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3290    0.3230   -2.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2010    1.5700   -2.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9280    1.6000   -3.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3750    2.3070   -4.4530 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9640    2.0520   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0070    1.6670   -1.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8770    1.6400    0.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740   -0.4680   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.4480    0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5800   -1.4720   -1.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7050    0.2390   -3.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9560   -0.5760   -2.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9300    1.5810   -1.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5930    2.4770   -2.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6060    1.8290    0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4940    1.8180   -1.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3730   -2.7650    1.2020 O   0  5  0  0  0  0  0  0  0  0  0  0
   -7.0000    0.9350   -3.6130 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7340    3.5180   -0.2630 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6170    4.0420   -0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1570    3.7970    0.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2260    3.8130   -1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  CHG  1  26  -1
M  CHG  1  27  -1
M  CHG  1  28   1
M  END