CHEMDIV-ZINC05165830
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0380    1.2830    0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0390   -0.0550    0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2490   -0.7090    0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900   -2.0900   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020   -2.6590   -0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6530   -1.8740   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6110   -0.5880   -0.0400 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4570    0.0300    0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    1.4140    0.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    2.0150    0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620    2.1450    0.4870 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0530   -2.9040   -0.0140 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0740   -4.0400    0.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9850   -2.4380   -0.4470 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8950    1.7840    0.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870   -0.6110    0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -3.7160   -0.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6060   -2.3360   -0.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    3.0760    0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7810    2.5210   -0.3770 H   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 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  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 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  12   1
M  CHG  1  14  -1
M  END