MMs00024592
  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
   -1.5000   -0.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2515    1.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5029    2.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0029    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7485    1.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7456    3.8980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2456    3.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9971    2.6015    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9941    5.1995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2544    3.8946    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.7544    3.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5059    5.1945    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6012   -1.0386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0988   -1.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4515    1.2951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9485    1.3012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1444    4.9365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1941    5.2009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3929    6.2381    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 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  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