IFLAB-ZINC02699743
  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
   -3.5490    0.7260   -3.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4980    0.2940   -2.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7730    0.7870   -1.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5080    0.1010   -3.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8320    0.4270   -3.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5940    0.1300   -4.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9270   -0.4200   -5.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2700   -0.5900   -4.9880 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0810   -1.2190   -3.6260 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
   -8.2330    0.8730   -2.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6560    0.3260   -4.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3770   -0.7120   -6.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5350   -2.0020   -3.2860 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