IFLAB-ZINC04228029
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
   -0.0190    1.5240    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
    1.0660   -0.5510   -1.3700 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6650    0.1680   -0.8880 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1010   -0.4210   -0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4470    1.5780   -0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4120    2.3130   -0.4290 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3100    2.0940    0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6100    0.1670   -2.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9160   -1.2550   -2.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290   -2.1720   -1.8720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5590    1.8740   -0.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5420    1.8650    0.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4030   -0.3720    0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0090   -0.3850   -0.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3740    2.9940    0.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360    0.6830   -2.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5360    0.6770   -1.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310   -1.5010   -3.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8980   -2.4280   -3.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END