PUBCHEM-ZINC02013709
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 30 31  0  0  0  0  0  0  0  0999 V2000
   -0.0190    1.5260    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810   -0.4830    1.1710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2530   -1.3030    1.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2890   -1.7030    0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3450   -0.5050    0.0110 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140   -0.4940   -1.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540   -1.2530   -1.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3050   -0.0880   -2.4520 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9660   -0.5440   -3.6000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5700   -0.1510   -4.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2380   -0.6110   -5.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9270   -0.2780   -7.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8430   -0.9580   -8.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6600   -1.6640   -7.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2960   -1.4480   -5.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8330   -2.5720   -7.7060 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0800   -2.6930   -8.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5060   -3.1640   -6.8810 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0040    1.9030    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5460    1.8870   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    1.8770    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430   -2.1860    2.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7280   -0.7290    2.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9370   -2.5540    0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2590   -1.9150    1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4470    0.5190   -2.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2680    0.5250   -4.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330    0.3770   -7.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8890   -0.9260   -9.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  1  17   1
M  CHG  1  19  -1
M  END