IBS-ZINC02341304
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.0070    1.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0150   -0.0240   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080   -0.7250   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5480   -2.1090   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -2.1770   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300   -0.9140   -0.0350 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4220   -0.7130   -0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040    0.0060   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4080   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960    2.0810   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1940    2.5030   -0.0330 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -3.3570   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1770   -4.4890   -0.0430 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9500    1.9170    0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9560   -0.5650    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8720   -2.9540   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1640    3.1680   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0030   -3.1430   -0.0540 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  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 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
M  CHG  1  13  -1
M  END