PUBCHEM-ZINC03643513
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.4250    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6060   -0.6070   -1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6770   -2.0550   -1.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1990   -3.0610   -0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3850   -4.3740   -0.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0450   -4.7540   -1.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220   -3.8060   -2.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430   -2.4600   -2.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7950   -0.9680   -3.1560 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1300    0.0860   -2.0090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1240   -5.4140    0.3270 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7040   -5.0920    1.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370   -6.5920    0.0640 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0050    1.8020    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    1.7860   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280    1.7760    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3160   -2.7870    0.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820   -5.8020   -1.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350   -4.1020   -3.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  12   1
M  CHG  1  14  -1
M  END