IFLAB-ZINC02454582
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 30  0  0  0  0  0  0  0  0999 V2000
   -0.0400    1.4620    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220    0.0200   -0.2270 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0260   -0.6560    0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3370   -0.5830    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3540   -2.0160   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690   -2.6180   -0.2540 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.9290   -2.6330    1.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7080   -1.8310   -0.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6850   -3.9940   -0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0520   -4.5920   -0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8940   -3.9780    0.0510 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9460    1.8830   -0.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7770    1.9480   -0.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    1.6240    1.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8410   -0.5100    1.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0180   -1.7210    0.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9980   -0.2360    0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5300   -0.5940    1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    0.0020   -0.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1610   -2.0050   -1.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5820   -2.6000   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8210   -1.6250    1.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9420   -2.9910    1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2160   -3.2960    1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5780   -1.9080   -2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6910   -2.2130   -0.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6260   -0.7860   -0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4490   -3.9870   -1.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9430   -4.5900   -0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3360   -5.8070   -1.0560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2260   -6.1490   -0.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  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  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  CHG  1   6   1
M  END