HEADER
HETATM    1  C1  ORG A   1       0.000   1.164  -0.774
HETATM    2  C2  ORG A   1      -0.000   1.179   0.634
HETATM    3  H1  ORG A   1       0.001   2.104  -1.317
HETATM    4  H2  ORG A   1       0.000   2.131   1.153
HETATM    5  C3  ORG A   1      -0.001  -0.026   1.373
HETATM    6  N1  ORG A   1      -0.002   0.059   2.793
HETATM    7  C4  ORG A   1      -0.002  -1.250   0.667
HETATM    8  H3  ORG A   1      -0.003  -2.187   1.196
HETATM    9  C5  ORG A   1      -0.001  -1.266  -0.742
HETATM   10  C6  ORG A   1      -0.000  -0.062  -1.473
HETATM   11  H4  ORG A   1      -0.002  -2.210  -1.269
HETATM   12  O1  ORG A   1       0.000  -0.110  -2.864
HETATM   13  C7  ORG A   1      -0.003  -1.053   3.678
HETATM   14  H5  ORG A   1      -0.001   0.977   3.206
HETATM   15  O2  ORG A   1      -0.004  -2.231   3.277
HETATM   16  C8  ORG A   1      -0.003  -0.783   5.168
HETATM   17  H6  ORG A   1       0.891  -0.212   5.444
HETATM   18  H7  ORG A   1      -0.897  -0.211   5.444
HETATM   19  H8  ORG A   1      -0.004  -1.730   5.712
HETATM   20  H9  ORG A   1       0.001   0.802  -3.183
CONECT    1    2    3   10
CONECT    2    1    4    5
CONECT    3    1
CONECT    4    2
CONECT    5    2    6    7
CONECT    6    5   13   14
CONECT    7    5    8    9
CONECT    8    7
CONECT    9    7   10   11
CONECT   10    9   12    1
CONECT   11    9
CONECT   12   10   20
CONECT   13    6   15   16
CONECT   14    6
CONECT   15   13
CONECT   16   13   17   18   19
CONECT   17   16
CONECT   18   16
CONECT   19   16
CONECT   20   12
END  
