MDPI-ZINC03850983
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  1  0  0  0  0  0999 V2000
   -0.0170    1.3770    0.0100 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
    1.2080   -0.6850   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970    0.0210   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770    1.4050   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720    2.0830    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1510    3.9740    0.0120 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5640   -0.9430   -0.0360 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3180   -0.6120   -0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9650   -2.2950   -0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4950   -2.1710   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1330   -1.0540    1.2700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590    1.9050    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270   -0.5550    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3050    1.9570   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0270   -2.4120   -1.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4590   -3.1230    0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720   -2.5870    0.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8370   -2.6780   -0.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4870   -0.2230    1.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END