D0S1NZ
 Wcorina  11010620243D 1   1.00000     0.00000     0
CORINA evaluation license 3.40 0067  02.08.2006
 17 17  0     0  0            999 V2000
   -0.0159    1.3188    0.0093 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2196   -0.6810   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3593    0.0068   -0.0201 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2458   -2.1614   -0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    1.9966    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2519    2.0096    0.0189 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3327    1.3247   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052   -2.7871   -0.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   -2.8139   -0.0363 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0959    3.5034    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9251   -0.5579    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2576    1.8823   -0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904   -3.7803   -0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0997    3.8614    1.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9751    3.8835   -0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1954    3.8550   -0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  2  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  CHG  2   1   1   7  -1
M  END

$$$$