PUBCHEM-ZINC05829539
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 18  0  0  1  0  0  0  0  0999 V2000
    0.1720    1.6410   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0050    0.1260   -0.0550 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0480   -0.1700   -0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.5180   -1.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -1.4440   -0.8550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.8140    2.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2620   -0.8390    3.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790   -0.2430    3.7940 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3410    1.9750    0.7110 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4610    2.9390    0.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2680    2.0700   -1.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830    2.1100    0.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670   -1.7980    2.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1900   -0.0830    2.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -0.0870   -2.3970 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5660   -0.4040    1.2460 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1980   -1.1780    0.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2230    0.3110    1.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4040   -1.4320    4.6260 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  9 10  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  1  15  -1
M  CHG  1  16   1
M  CHG  1  19  -1
M  END