D0X5SI
 Wcorina  11010620313D 1   1.00000     0.00000     0
CORINA evaluation license 3.40 0067  02.08.2006
 20 19  0     1  0            999 V2000
   -0.0184    1.5028    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4956   -4.2589    3.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0197    2.1211    0.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263   -4.9696    2.3503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2033   -2.3389    1.4121 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3055   -0.4734   -0.4867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1898    2.1580    0.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6905   -4.8042    4.5236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2279   -0.5251    1.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4880   -2.7604    3.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7864   -0.3745   -0.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4531   -0.1967   -1.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0536   -0.1430    0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1523    3.1243    0.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6870   -5.7697    4.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606   -0.1546    2.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1950   -0.1768    1.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486   -2.3562    3.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3070   -2.3340    3.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END

$$$$