HEADER
HETATM    1  C1  ORG A   1      -2.402  -1.094  -3.839
HETATM    2  C2  ORG A   1      -3.242  -0.076  -3.364
HETATM    3  H1  ORG A   1      -3.713   0.615  -4.017
HETATM    4  C3  ORG A   1      -2.139  -1.234  -5.206
HETATM    5  C4  ORG A   1      -1.315  -2.276  -5.613
HETATM    6  H2  ORG A   1      -1.085  -2.436  -6.663
HETATM    7  C5  ORG A   1      -0.754  -3.137  -4.674
HETATM    8  H3  ORG A   1      -0.109  -3.942  -4.993
HETATM    9  N1  ORG A   1      -0.980  -3.013  -3.341
HETATM   10  C6  ORG A   1      -1.796  -2.000  -2.952
HETATM   11  C7  ORG A   1      -3.436   0.011  -1.986
HETATM   12  O1  ORG A   1      -4.255   1.023  -1.501
HETATM   13  C8  ORG A   1      -2.841  -0.874  -1.091
HETATM   14  H4  ORG A   1      -3.011  -0.785  -0.022
HETATM   15  C9  ORG A   1      -2.017  -1.889  -1.574
HETATM   16  H5  ORG A   1      -1.550  -2.584  -0.893
HETATM   17  C10 ORG A   1      -2.715  -0.325  -6.253
HETATM   18  O2  ORG A   1      -4.098  -0.226  -5.998
HETATM   19  H6  ORG A   1      -2.630  -0.830  -7.226
HETATM   20  C11 ORG A   1      -2.111   1.072  -6.326
HETATM   21  N2  ORG A   1      -1.784   1.645  -5.018
HETATM   22  C12 ORG A   1      -0.892   1.093  -7.222
HETATM   23  H7  ORG A   1      -1.207   1.266  -8.260
HETATM   24  H8  ORG A   1      -0.360   0.135  -7.166
HETATM   25  H9  ORG A   1      -2.896   1.680  -6.772
HETATM   26  C13 ORG A   1       0.004   2.212  -6.735
HETATM   27  H10 ORG A   1       0.769   2.443  -7.487
HETATM   28  C14 ORG A   1      -0.818   3.438  -6.394
HETATM   29  H11 ORG A   1      -0.137   4.232  -6.056
HETATM   30  C15 ORG A   1      -1.743   3.089  -5.235
HETATM   31  H12 ORG A   1      -2.750   3.460  -5.446
HETATM   32  H13 ORG A   1      -1.370   3.575  -4.328
HETATM   33  C16 ORG A   1      -0.464   1.198  -4.567
HETATM   34  H14 ORG A   1      -0.420   0.109  -4.581
HETATM   35  H15 ORG A   1      -0.304   1.546  -3.542
HETATM   36  C17 ORG A   1       0.638   1.732  -5.453
HETATM   37  H16 ORG A   1       1.368   0.940  -5.670
HETATM   38  H17 ORG A   1       1.155   2.570  -4.966
HETATM   39  H18 ORG A   1      -4.400  -1.120  -6.219
HETATM   40  H19 ORG A   1      -4.234   0.860  -0.547
HETATM   41  C18 ORG A   1      -1.584   3.941  -7.579
HETATM   42  H20 ORG A   1      -2.337   3.315  -8.046
HETATM   43  C19 ORG A   1      -1.362   5.161  -8.080
HETATM   44  H21 ORG A   1      -0.617   5.814  -7.637
HETATM   45  H22 ORG A   1      -1.927   5.509  -8.938
CONECT    1    2    4   10
CONECT    2    1    3   11
CONECT    3    2
CONECT    4    1    5   17
CONECT    5    4    6    7
CONECT    6    5
CONECT    7    5    8    9
CONECT    8    7
CONECT    9    7   10
CONECT   10    1    9   15
CONECT   11    2   12   13
CONECT   12   11   40
CONECT   13   11   14   15
CONECT   14   13
CONECT   15   10   13   16
CONECT   16   15
CONECT   17    4   18   19   20
CONECT   18   17   39
CONECT   19   17
CONECT   20   17   21   22   25
CONECT   21   20   30   33
CONECT   22   20   23   24   26
CONECT   23   22
CONECT   24   22
CONECT   25   20
CONECT   26   22   27   28   36
CONECT   27   26
CONECT   28   26   29   30   41
CONECT   29   28
CONECT   30   21   28   31   32
CONECT   31   30
CONECT   32   30
CONECT   33   21   34   35   36
CONECT   34   33
CONECT   35   33
CONECT   36   26   33   37   38
CONECT   37   36
CONECT   38   36
CONECT   39   18
CONECT   40   12
CONECT   41   28   42   43
CONECT   42   41
CONECT   43   41   44   45
CONECT   44   43
CONECT   45   43
END  
