HEADER
HETATM    1  C1  ORG A   1      -0.014   0.037  -0.014
HETATM    2  C2  ORG A   1       0.882   0.862   0.882
HETATM    3  H1  ORG A   1       0.571  -0.625  -0.686
HETATM    4  H2  ORG A   1      -0.672  -0.583   0.608
HETATM    5  C3  ORG A   1      -0.852   0.957  -0.852
HETATM    6  O1  ORG A   1       0.872   2.107   0.872
HETATM    7  O2  ORG A   1       1.747   0.207   1.747
HETATM    8  H3  ORG A   1       2.208   0.917   2.208
HETATM    9  O3  ORG A   1      -1.696   0.190  -1.696
HETATM   10  H4  ORG A   1      -1.473   1.597  -0.191
HETATM   11  H5  ORG A   1      -0.191   1.597  -1.473
HETATM   12  H6  ORG A   1      -2.342   0.662  -2.342
CONECT    1    2    3    4    5
CONECT    2    1    6    7
CONECT    3    1
CONECT    4    1
CONECT    5    1    9   10   11
CONECT    6    2
CONECT    7    2    8
CONECT    8    7
CONECT    9    5   12
CONECT   10    5
CONECT   11    5
CONECT   12    9
END  
