PUBCHEM-ZINC05829464
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 17  0  0  1  0  0  0  0  0999 V2000
    0.0850    1.5170   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260   -0.0230    0.0290 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5270   -0.4360   -0.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7400   -0.4850    1.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670   -0.8070    2.2330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4320   -0.5390    0.0720 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8790   -0.3020    1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5950   -2.0920   -0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5420   -2.7830   -0.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    2.1130   -0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630    1.3610   -0.6760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4770    1.8910   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3830    1.9400    0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8070   -2.4620   -0.2150 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3060    0.0770   -0.9720 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6660    0.9610   -0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1180   -0.5580   -1.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850    3.3110    0.2190 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  4  5  3  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  CHG  1  14  -1
M  CHG  1  18  -1
M  END