IBS-ZINC04772594
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3820    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
    1.2180   -0.6680   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540    0.0000   -0.0200 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3810    1.3290   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1920    2.0610    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2270    3.7960    0.0100 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6780    2.0370   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7070    3.2510   -0.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5760   -0.7160   -0.0360 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2460   -2.4040   -0.0220 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9520    1.9210    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9230   -0.5620    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8280    1.3350   -0.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6510    1.8420   -0.0410 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 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  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  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  1   4   1
M  CHG  1  10  -1
M  END