MMs02228684
  MOE2007           2D
CORINA 3.40 0006  02.08.2006
 17 18  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
   -0.7489   -1.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5023   -2.5968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2511   -1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5027    1.1169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8736    0.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7181   -0.9839    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1720    1.2591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2489   -1.3010    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.9977   -2.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.0026    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6009    1.0387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5968   -3.6378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2117    0.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1709    2.4591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  1  11   1
M  CHG  1  13  -1
M  END