PUBCHEM-ZINC05157177
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
    0.0000    1.5320    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0780    0.0200   -0.0680 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1670   -0.4520    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3340   -0.2200   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.9750    0.2040 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7900    2.0260    1.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150    3.2710   -0.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920    2.9870   -1.5700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620    1.9790   -0.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6020    1.8380    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070   -1.1860   -0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1610   -0.0870   -1.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2580    0.8550   -0.4760 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0750    0.5680    0.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6560    1.4280   -1.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1440    4.3150   -0.2180 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1580   -0.5100   -0.6970 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.3440   -0.1110   -1.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860   -0.2900   -0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460   -1.5360   -0.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  CHG  1  13   1
M  CHG  1  16  -1
M  CHG  1  17   1
M  END