PUBCHEM-ZINC06451586
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 30  0  0  1  0  0  0  0  0999 V2000
    0.0670    0.9080    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720    1.0210    2.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300    3.0400    1.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5960    3.5210    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7740    5.0440    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6940    5.4820   -1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0130    6.9720   -1.0830 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3630    7.3220   -0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0650    7.3310   -2.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5600    8.2480   -2.9070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0720   -0.1760    0.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860    1.3050    0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.1470   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8610    1.3600    2.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2320   -0.0700    2.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8110    1.4240    3.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    3.3990    1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1620    3.3750    2.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450    3.2300   -0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5800    3.0390    0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2070    5.3570    1.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7960    5.5300   -0.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2460    5.1990   -2.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310    4.9160   -1.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6920    1.5230    1.2550 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.6640    1.1920    1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1530    6.7180   -2.1700 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7830    7.7880   -1.4200 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.1970    8.3500   -2.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9960    7.2660   -1.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5030    8.4630   -0.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 25  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 25 26  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  25   1
M  CHG  1  27  -1
M  CHG  1  28   1
M  END