HEADER
HETATM    1  C1  ORG A   1       0.083  -0.296  -0.017
HETATM    2  O1  ORG A   1       0.135   0.098   1.337
HETATM    3  C2  ORG A   1      -1.238   0.197  -0.629
HETATM    4  C3  ORG A   1       1.331   0.234  -0.739
HETATM    5  H1  ORG A   1       0.101  -1.385  -0.032
HETATM    6  H2  ORG A   1       1.433  -0.215  -1.729
HETATM    7  H3  ORG A   1       1.279   1.321  -0.824
HETATM    8  O2  ORG A   1       2.465  -0.085   0.030
HETATM    9  H4  ORG A   1       2.128  -0.033   0.925
HETATM   10  H5  ORG A   1      -0.789   0.181   1.566
HETATM   11  H6  ORG A   1      -1.218   1.280  -0.718
HETATM   12  H7  ORG A   1      -1.406  -0.252  -1.617
HETATM   13  O3  ORG A   1      -2.295  -0.123   0.248
HETATM   14  H8  ORG A   1      -2.671  -0.942  -0.085
CONECT    1    2    3    4    5
CONECT    2    1   10
CONECT    3    1   11   12   13
CONECT    4    1    6    7    8
CONECT    5    1
CONECT    6    4
CONECT    7    4
CONECT    8    4    9
CONECT    9    8
CONECT   10    2
CONECT   11    3
CONECT   12    3
CONECT   13    3   14
CONECT   14   13
END  
