SPECS-ZINC00330663
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
    0.4220    1.7590   -0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1200    0.3480   -0.0570 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1290   -0.1530    1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1650   -1.4520    1.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4670   -2.0330   -0.4000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1730   -0.4680   -1.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2370   -0.1210   -2.3630 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7930   -0.8250   -3.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5760   -0.3790   -2.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870    1.8720   -0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1510    2.1040   -1.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1550    2.3500    0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3570    0.4410    2.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2100   -2.0440    2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6440   -1.9010   -3.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7200   -0.5340   -4.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7790   -0.5610   -2.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3220    0.1320   -2.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6280   -0.0080   -3.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720   -1.4510   -2.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  CHG  1   2   1
M  END