PUBCHEM-ZINC06112917
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
    0.1720    0.4420   -1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6460   -0.7220   -1.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460   -0.8460   -1.5610 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640    0.6390   -0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2240    1.2400   -0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9730    2.5430    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    3.2310    0.4240 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7600    1.0860   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660    0.5740    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2380   -0.5510    1.4440 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0600   -0.7870    1.7320 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2110   -1.1910    1.8680 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8760    0.7210   -1.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0760   -1.5010   -2.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1030    1.9830   -0.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540    0.9460    0.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2410    2.9090    0.1550 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 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  2  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  1   7  -1
M  CHG  1  10   1
M  CHG  1  12  -1
M  END