D0Q3KV
 Wcorina  10100417233D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 20 20  0     1  0  0  0  0  0999 V2000
   -2.8737    1.2802    1.1098 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8627    1.1811    3.6625 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0161    1.3381    0.0094 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0565   -0.5939   -0.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0519   -2.1414   -0.4731 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2926   -0.7753    0.0102 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8371   -0.8279    1.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6087    0.2145    1.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5703   -1.9203    2.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1094    0.1643    3.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0697   -1.9705    3.5066 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
   -2.8363   -0.9280    3.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0139   -0.2813   -0.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9714   -2.7354    1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8606   -2.8248    4.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3861   -2.6207    0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9154   -2.6594   -0.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2253   -0.9680    5.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8394    1.7888    0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 20  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 13  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 13 19  1  0  0  0  0
M  END

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