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Rev 20 Rev 16843
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HEADER
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COMPND     CH4 (exp)
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COMPND    CH4 (Methane)
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Gérard Dupuis Lycée Faidherbe Lille
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06/03/00
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construit avec les valeurs suivantes :
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AUTHOR    GENERATED BY OPEN BABEL 2.3.2
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Distance C-H 0,1094 nm
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Angle HCH 109,5°
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ATOM      1  C                   1.031   0.000   0.365                         
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HETATM    1  C CH4     1      -8.438   2.791   0.000  1.00  0.00
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ATOM      2  H                   0.000   0.000   0.000                          
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HETATM    2  H CH4     1      -7.368   2.791   0.000  1.00  0.00
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ATOM      3  H                   1.547  -0.893   0.000                          
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HETATM    3  H CH4     1      -8.795   2.064  -0.700  1.00  0.00
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ATOM      4  H                   1.547   0,893   0.000                        
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HETATM    4  H CH4     1      -8.795   3.760  -0.280  1.00  0.00
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ATOM      5  H                   1,031   0,000   1,459
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HETATM    5  H CH4     1      -8.795   2.549   0.979  1.00  0.00
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CONECT    1    2    3    4    5
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CONECT    1    2    3    4    5
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MASTER        0    0    0    0    0    0    0    0    4    0    0    0
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MASTER        0    0    0    0    0    0    0    0    5    0    5    0
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END
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END