PEPTECH-ZINC02529149
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
   -0.0170    1.3800    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
    1.2200   -0.5490   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4350    0.7220   -0.0170 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850    1.9590    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330    3.4450    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    3.9410    1.4510 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2940    3.3710    1.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    5.4020    1.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0460    6.2410    1.6210 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5840   -2.4050   -0.0260 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350    1.9490    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.5980    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    3.6600   -0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100    3.9530   -0.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2910    4.0210    3.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1790    5.7720    1.2780 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2350    3.7610    2.1190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4900    4.2800    1.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3670    6.7200    1.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END