PUBCHEM-ZINC05973855
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 20  0  0  1  0  0  0  0  0999 V2000
   -0.0160    1.3400    0.0090 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
    1.2820   -0.4080   -0.0150 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0750    0.6440   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2910    1.7540   -0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680    2.9370    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5390    2.3270    0.3840 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7040    2.3720    1.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3960    0.9640   -0.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6710    3.0300   -0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4020    2.3350    0.2540 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1860   -0.8880    0.0120 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.3040   -0.4050    0.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0450   -2.0970    0.0040 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8920    1.9720    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050    3.4010   -0.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8430    3.6530    0.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5680    2.8440   -1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210    4.1020   -0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  12   1
M  CHG  1  14  -1
M  END