IBS-ZINC00542852
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
    0.3670    1.9370    0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090    0.5670    0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3180   -0.2270    0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5980    0.3400    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7410    1.7210    0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310    2.5140    0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7720   -0.4850    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7570   -0.3690   -0.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7820   -1.3170   -0.9080 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5520   -2.1340    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1410   -1.8380    1.0090 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7420    0.6720   -2.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    0.8590   -2.6380 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4960    2.5550    1.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7770    0.1170    0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730   -1.2910    0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7190    2.1910    0.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560    3.5830    0.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2190   -2.9520    0.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8190    1.3220   -2.2000 O   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 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
M  CHG  1  13  -1
M  END