HEADER
HETATM    1  C1  ORG A   1      -0.706   0.095   0.182
HETATM    2  O1  ORG A   1      -0.486   0.004   1.555
HETATM    3  O2  ORG A   1      -0.927   1.184  -0.384
HETATM    4  C2  ORG A   1      -0.684  -1.151  -0.632
HETATM    5  C3  ORG A   1      -0.420  -2.473  -0.010
HETATM    6  H1  ORG A   1      -0.863  -1.081  -1.696
HETATM    7  H2  ORG A   1      -0.250  -2.511   1.055
HETATM    8  C4  ORG A   1      -0.405   1.242   2.238
HETATM    9  C5  ORG A   1      -0.377  -3.751  -0.784
HETATM   10  C6  ORG A   1      -0.124  -4.964  -0.105
HETATM   11  C7  ORG A   1      -0.581  -3.789  -2.182
HETATM   12  H3  ORG A   1       0.036  -4.960   0.969
HETATM   13  C8  ORG A   1      -0.077  -6.183  -0.807
HETATM   14  H4  ORG A   1      -0.778  -2.875  -2.733
HETATM   15  H5  ORG A   1       0.119  -7.102  -0.268
HETATM   16  C9  ORG A   1      -0.280  -6.223  -2.203
HETATM   17  C10 ORG A   1      -0.534  -5.010  -2.883
HETATM   18  O3  ORG A   1      -0.219  -7.467  -2.832
HETATM   19  H6  ORG A   1      -0.695  -5.001  -3.955
HETATM   20  C11 ORG A   1       0.896   1.979   1.840
HETATM   21  H7  ORG A   1      -1.269   1.844   1.946
HETATM   22  C12 ORG A   1      -0.512   0.957   3.753
HETATM   23  H8  ORG A   1      -1.111   0.054   3.884
HETATM   24  H9  ORG A   1       0.484   0.777   4.165
HETATM   25  C13 ORG A   1      -1.201   2.072   4.553
HETATM   26  H10 ORG A   1       1.753   1.358   2.122
HETATM   27  H11 ORG A   1       0.903   2.098   0.756
HETATM   28  C14 ORG A   1       1.064   3.372   2.467
HETATM   29  H12 ORG A   1      -0.648   3.006   4.462
HETATM   30  H13 ORG A   1      -2.215   2.216   4.180
HETATM   31  H14 ORG A   1      -1.245   1.786   5.606
HETATM   32  C15 ORG A   1       2.298   4.108   1.921
HETATM   33  H15 ORG A   1       0.179   3.972   2.252
HETATM   34  H16 ORG A   1       1.179   3.267   3.546
HETATM   35  H17 ORG A   1       3.188   3.515   2.127
HETATM   36  H18 ORG A   1       2.191   4.236   0.845
HETATM   37  C16 ORG A   1       2.475   5.490   2.559
HETATM   38  H19 ORG A   1       3.359   5.973   2.140
HETATM   39  H20 ORG A   1       1.597   6.099   2.352
HETATM   40  H21 ORG A   1       2.597   5.380   3.636
HETATM   41  C17 ORG A   1      -0.427  -7.476  -4.226
HETATM   42  H22 ORG A   1      -1.425  -7.091  -4.458
HETATM   43  H23 ORG A   1       0.339  -6.870  -4.723
HETATM   44  H24 ORG A   1      -0.351  -8.507  -4.579
CONECT    1    2    3    4
CONECT    2    1    8
CONECT    3    1
CONECT    4    1    5    6
CONECT    5    4    7    9
CONECT    6    4
CONECT    7    5
CONECT    8    2   20   21   22
CONECT    9   10   11    5
CONECT   10    9   12   13
CONECT   11    9   14   17
CONECT   12   10
CONECT   13   10   15   16
CONECT   14   11
CONECT   15   13
CONECT   16   13   17   18
CONECT   17   16   19   11
CONECT   18   16   41
CONECT   19   17
CONECT   20    8   26   27   28
CONECT   21    8
CONECT   22    8   23   24   25
CONECT   23   22
CONECT   24   22
CONECT   25   22   29   30   31
CONECT   26   20
CONECT   27   20
CONECT   28   20   32   33   34
CONECT   29   25
CONECT   30   25
CONECT   31   25
CONECT   32   28   35   36   37
CONECT   33   28
CONECT   34   28
CONECT   35   32
CONECT   36   32
CONECT   37   32   38   39   40
CONECT   38   37
CONECT   39   37
CONECT   40   37
CONECT   41   18   42   43   44
CONECT   42   41
CONECT   43   41
CONECT   44   41
END  
