ASINEX-ZINC05003083
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0180   -1.1780   -0.0040 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
   -0.0170    1.4280    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1800    2.1450    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1540    3.5240    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550    4.1970    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2450    3.4920    0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2330    2.1120    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5080    1.3590    0.0210 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5690    1.9580    0.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4960    0.1410    0.0140 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0750    5.6770    0.0330 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9710    6.3000    0.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1380    6.2710    0.0470 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0320   -2.2280   -0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1240    1.6210   -0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800    4.0800    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1860    4.0220    0.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 16  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 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1   9   1
M  CHG  1  11  -1
M  CHG  1  12   1
M  CHG  1  14  -1
M  END