NCID-ZINC01704642
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 30 31  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3780    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
    1.2090   -0.6790   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970    0.0290   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780    1.4110   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    2.0860    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    3.5920    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1580    4.1880    1.7240 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320    5.9400    1.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1120    6.5030    0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910    7.8760    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0900    8.6900    1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1110    8.1340    2.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    6.7610    2.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390    6.1660    4.0110 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1340    6.8860    4.9930 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1570    4.9550    4.1440 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0680   10.1620    1.0790 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0510   10.6540   -0.0350 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0680   10.8810    2.0630 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2360   -2.5700   -0.0230 Br  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
   -0.9260   -0.5570    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400   -0.4970   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3050    1.9650   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300    3.9710   -0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    3.9460   -0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1130    5.8680   -0.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0760    8.3140   -0.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1100    8.7730    3.3740 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 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  1  15   1
M  CHG  1  17  -1
M  CHG  1  18   1
M  CHG  1  20  -1
M  END