D0H0KB
 Wcorina  10100417253D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 20 21  0     0  0  0  0  0  0999 V2000
   -0.0218    1.7578    0.0117 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6343   -4.8632    1.1231 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6568   -4.8507   -1.1613 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -5.3626   -0.0030 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7674   -3.1931    0.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2104    0.5985   -0.0158 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4991    2.9465   -0.0060 N   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
    1.3337   -0.4278   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0346   -0.9342    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7537   -2.2866   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5985   -1.8134   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5685   -2.7194   -0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7357    1.7960   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4023   -4.5747   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0606   -0.5972    0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6201   -2.1636   -0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7857   -3.7773   -0.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0673    3.8151    0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4672    2.8862   -0.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 15  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  2  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END

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