MMs03004585
  MOE2007           2D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4321   -0.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4501   -1.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -2.4269    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8670   -1.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3669   -1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1325    0.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6324    0.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1323    0.0118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3981    1.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637    2.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8982    1.3739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6741   -2.8133    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.0370   -2.1868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5352   -4.3068    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3845    1.1367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3943    0.2706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544   -2.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108    2.4202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5920    0.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  3  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  1  13   1
M  CHG  1  15  -1
M  END