IFLAB-ZINC02456516
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 25 25  0  0  0  0  0  0  0  0999 V2000
    1.3330   -0.6510    1.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910    0.1230   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650    1.3480   -0.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8320   -0.6060   -1.3410 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650   -2.0650   -1.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -2.6860   -2.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6460   -1.9660   -3.3600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7370   -0.5100   -3.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5120    0.0850   -2.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9400   -2.6100   -4.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -1.9970   -5.6070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -4.1440   -4.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7020   -4.7620   -3.8740 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5250   -1.3440    1.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740   -1.1920    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4570    0.0430    1.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8510   -2.2410   -2.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1410   -2.5490   -0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660   -3.7390   -2.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310   -2.6300   -1.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9020   -0.0510   -4.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6180   -0.2990   -2.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720    1.1580   -2.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790   -0.0390   -3.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3260   -4.6430   -5.6910 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  2  0  0  0  0
M  CHG  1  13  -1
M  END