IBS-ZINC00525427
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3830    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
    1.2170   -0.6610   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3510    0.0160   -0.0200 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3700    1.3350   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    2.0590    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6910    2.0610   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0910    2.4090    1.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3430    3.0970    1.4060 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5770   -0.6920   -0.0340 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9520    1.9220    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9220   -0.5630    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400   -1.7410   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160    3.1390    0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    1.4220   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5990    2.9770   -0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3280    3.0480    1.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1830    1.4930    1.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6590    3.3490    2.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  CHG  1   4   1
M  CHG  1  10  -1
M  END