ASINEX-ZINC04587445
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0190    1.5260    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
   -1.3390   -0.4990    0.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560    2.0330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1080    2.3200   -1.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020    2.7580   -0.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2810    2.7380    0.6750 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1160    2.3100    1.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5840    2.1070    2.8850 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4390    3.1840   -1.5120 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.3400    3.1570   -2.7260 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750    3.5620   -0.9950 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6890    2.1760   -2.5210 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1500    3.1070   -3.0940 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8820    1.1280   -3.1100 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5460    1.8870   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    1.8770    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5120   -0.3560   -0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5290   -0.3650    0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4020   -1.4640    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  1  10   1
M  CHG  1  12  -1
M  CHG  1  13   1
M  CHG  1  15  -1
M  END