PUBCHEM-ZINC03651605
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 25 24  0  0  1  0  0  0  0  0999 V2000
   -0.0010    1.4870    0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0610   -0.0460    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4880   -0.5730    0.0640 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1480   -0.1180    0.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6510   -2.1170    0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3330   -2.5060   -0.8610 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350    2.0240    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4670    3.5460    0.0770 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8790    4.0110    0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8960    4.1500    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    4.9260   -0.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790    3.9490   -1.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4740    1.8380   -0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5810    1.9030    0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5630   -0.4750   -0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720   -0.3860    1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9090    1.7040    1.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0130    1.5860   -0.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5820    4.5610   -1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1590   -2.7260    1.1300 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0630   -0.1840   -1.2870 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.4660   -1.1320   -1.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3630    0.0550   -1.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8240    0.4980   -1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    3.8360    1.0790 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  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 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  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 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 12 19  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  CHG  1  20  -1
M  CHG  1  21   1
M  CHG  1  25  -1
M  END