HEADER
HETATM    1  C1  ORG A   1       0.000   1.176  -0.748
HETATM    2  C2  ORG A   1      -0.000   1.209   0.667
HETATM    3  H1  ORG A   1       0.001   2.100  -1.308
HETATM    4  C3  ORG A   1       0.000   2.543   1.349
HETATM    5  C4  ORG A   1      -0.001  -0.011   1.399
HETATM    6  O1  ORG A   1      -0.001   0.072   2.792
HETATM    7  C5  ORG A   1      -0.001  -1.235   0.687
HETATM    8  H2  ORG A   1      -0.002  -2.175   1.206
HETATM    9  C6  ORG A   1      -0.001  -1.254  -0.721
HETATM   10  C7  ORG A   1      -0.000  -0.048  -1.440
HETATM   11  H3  ORG A   1      -0.001  -2.198  -1.249
HETATM   12  H4  ORG A   1       0.000  -0.060  -2.522
HETATM   13  O2  ORG A   1      -0.000   2.658   2.731
HETATM   14  O3  ORG A   1       0.001   3.594   0.681
HETATM   15  H5  ORG A   1       0.000   3.612   2.879
HETATM   16  C8  ORG A   1      -0.004  -1.048   3.619
HETATM   17  O4  ORG A   1      -0.006  -2.223   3.205
HETATM   18  C9  ORG A   1      -0.003  -0.804   5.113
HETATM   19  H6  ORG A   1       0.890  -0.235   5.393
HETATM   20  H7  ORG A   1      -0.894  -0.232   5.392
HETATM   21  H8  ORG A   1      -0.005  -1.760   5.648
CONECT    1    2    3   10
CONECT    2    1    4    5
CONECT    3    1
CONECT    4    2   13   14
CONECT    5    2    6    7
CONECT    6    5   16
CONECT    7    5    8    9
CONECT    8    7
CONECT    9    7   10   11
CONECT   10    9   12    1
CONECT   11    9
CONECT   12   10
CONECT   13    4   15
CONECT   14    4
CONECT   15   13
CONECT   16    6   17   18
CONECT   17   16
CONECT   18   16   19   20   21
CONECT   19   18
CONECT   20   18
CONECT   21   18
END  
