HEADER
HETATM    1  C1  ORG A   1       0.094   0.052   0.055
HETATM    2  C2  ORG A   1       0.968   0.927   0.930
HETATM    3  C3  ORG A   1      -0.878   0.882  -0.807
HETATM    4  H1  ORG A   1       0.745  -0.534  -0.607
HETATM    5  N1  ORG A   1      -0.616  -0.879   0.921
HETATM    6  O1  ORG A   1       0.940   2.170   0.872
HETATM    7  O2  ORG A   1       1.823   0.307   1.830
HETATM    8  H2  ORG A   1      -0.287   1.590  -1.409
HETATM    9  H3  ORG A   1      -1.533   1.460  -0.146
HETATM   10  C4  ORG A   1      -1.729   0.032  -1.736
HETATM   11  C5  ORG A   1      -2.747  -0.801  -1.219
HETATM   12  C6  ORG A   1      -1.521   0.077  -3.134
HETATM   13  H4  ORG A   1      -2.926  -0.836  -0.153
HETATM   14  C7  ORG A   1      -3.537  -1.585  -2.083
HETATM   15  H5  ORG A   1      -0.747   0.715  -3.549
HETATM   16  H6  ORG A   1      -4.314  -2.222  -1.677
HETATM   17  C8  ORG A   1      -3.318  -1.539  -3.473
HETATM   18  C9  ORG A   1      -2.311  -0.707  -3.997
HETATM   19  H7  ORG A   1      -3.926  -2.141  -4.137
HETATM   20  H8  ORG A   1      -2.143  -0.669  -5.067
HETATM   21  H9  ORG A   1      -0.747  -1.750   0.408
HETATM   22  H10 ORG A   1       0.004  -1.073   1.699
HETATM   23  H11 ORG A   1       2.263   1.042   2.269
CONECT    1    2    3    4    5
CONECT    2    1    6    7
CONECT    3    1    8    9   10
CONECT    4    1
CONECT    5    1   21   22
CONECT    6    2
CONECT    7    2   23
CONECT    8    3
CONECT    9    3
CONECT   10   11   12    3
CONECT   11   10   13   14
CONECT   12   10   15   18
CONECT   13   11
CONECT   14   11   16   17
CONECT   15   12
CONECT   16   14
CONECT   17   14   18   19
CONECT   18   17   20   12
CONECT   19   17
CONECT   20   18
CONECT   21    5
CONECT   22    5
CONECT   23    7
END  
