MMs00074044
  MOE2007           2D
CORINA 3.40 0006  02.08.2006
 17 17  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
   -1.4351   -0.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4636   -1.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0461   -2.4266    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8585   -1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3582   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1327    0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6325   -0.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1322   -0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4076    1.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824    2.6521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6937   -2.7945    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.5653   -4.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0522   -2.1585    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3924    1.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3924    0.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9383   -2.3090    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 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  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 17  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  3  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