D0YU8J
 Wcorina  10100417213D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 19 19  0     0  0  0  0  0  0999 V2000
   -3.7074    0.2927    3.8215 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    1.4168    0.0098 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    2.2101    0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002    1.8797   -1.3124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0853    3.0243    4.8196 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9297    1.8941    1.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8428    1.0194    1.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7266    3.1406    2.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3620    2.6450    3.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5601    1.3908    3.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396    3.5183    3.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9960    0.0451    1.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0093    3.8196    1.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2800    4.4919    3.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7531    2.3264   -1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5646    1.7043   -2.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7266    2.4121    5.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9461    3.8999    5.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
M  END

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