IFLAB-ZINC02699742
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 31  0  0  1  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
    0.7420   -0.5110    1.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4330   -0.5340    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -0.1370   -1.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5280    0.5050   -2.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4060   -0.4970   -1.4790 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0780   -0.1120   -2.7220 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.3350    0.0440   -3.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0260   -1.2060   -3.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8300   -2.3490   -2.7810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1410   -0.9020   -3.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0710   -1.8070   -4.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0510   -1.2380   -5.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9340    0.0840   -5.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5640    0.6970   -4.5490 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8100    1.0980   -2.5130 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0040    1.9030    0.0030 H   0  0  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
    0.2320   -0.1590    2.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7570   -1.6010    1.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7650   -0.1340    1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4190   -1.6200    0.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700   -0.1110    0.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8830   -1.0110   -0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0360   -2.8600   -4.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8580   -1.8150   -5.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6200    0.6820   -5.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4900    1.0320   -1.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END