PUBCHEM-ZINC05134376
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
   -0.0250    1.6290   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    0.1080   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990   -0.5950   -1.7150 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2290   -0.0420   -1.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3140    1.4130   -2.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480    2.4160   -1.3090 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4070    2.1660    0.0420 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0480    1.4710    0.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450    3.5070    0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    4.2480    0.7740 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8990    1.7280   -3.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8620    0.9790   -3.7690 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5700    2.0930   -0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5720    1.9000    0.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4370   -0.3660    0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -0.1970   -0.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6640   -0.2170   -0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850   -0.6640   -2.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    3.6750    1.5420 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3700    2.6700   -4.0790 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  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
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  2  0  0  0  0
M  CHG  1  12  -1
M  CHG  1  19  -1
M  END