PUBCHEM-ZINC03768019
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.1460    1.1810    0.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690   -0.1030    0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -0.6410   -0.2660 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2670    0.2250   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7660    1.7310    0.5970 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5520   -0.0540   -0.4280 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6290    0.8080   -0.3160 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6600    0.5150    0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6660    1.2030    0.6730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2140   -0.8270    0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610   -0.2160    0.4390 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6580    1.8010    1.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7360   -0.9750   -0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6300    1.6500   -0.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5070   -0.4210    1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2030   -2.0090   -0.4320 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
M  CHG  1  11  -1
M  END