HEADER
HETATM    1  C1  ORG A   1      -0.911  -1.565   0.424
HETATM    2  C2  ORG A   1      -1.386  -1.098   1.679
HETATM    3  O1  ORG A   1      -0.474  -0.755  -0.626
HETATM    4  O2  ORG A   1      -1.458   0.262   1.972
HETATM    5  C3  ORG A   1      -1.796  -2.033   2.658
HETATM    6  H1  ORG A   1      -2.161  -1.686   3.620
HETATM    7  C4  ORG A   1      -1.741  -3.416   2.406
HETATM    8  H2  ORG A   1      -2.062  -4.114   3.172
HETATM    9  C5  ORG A   1      -1.273  -3.889   1.164
HETATM   10  C6  ORG A   1      -0.863  -2.958   0.187
HETATM   11  C7  ORG A   1      -1.209  -5.374   0.871
HETATM   12  H3  ORG A   1      -0.502  -3.318  -0.767
HETATM   13  H4  ORG A   1      -1.807   0.341   2.869
HETATM   14  C8  ORG A   1      -0.511   0.637  -0.419
HETATM   15  H5  ORG A   1       0.124   0.894   0.428
HETATM   16  H6  ORG A   1      -0.141   1.138  -1.321
HETATM   17  H7  ORG A   1      -1.538   0.946  -0.224
HETATM   18  H8  ORG A   1      -1.555  -5.951   1.741
HETATM   19  H9  ORG A   1      -1.854  -5.605   0.019
HETATM   20  N1  ORG A   1       0.135  -5.776   0.561
HETATM   21  C9  ORG A   1       0.485  -6.313  -0.705
HETATM   22  H10 ORG A   1       0.842  -5.666   1.265
HETATM   23  O3  ORG A   1      -0.367  -6.419  -1.609
HETATM   24  C10 ORG A   1       1.910  -6.763  -0.958
HETATM   25  H11 ORG A   1       2.315  -6.201  -1.810
HETATM   26  H12 ORG A   1       2.535  -6.555  -0.076
HETATM   27  C11 ORG A   1       1.981  -8.267  -1.274
HETATM   28  H13 ORG A   1       1.333  -8.471  -2.127
HETATM   29  H14 ORG A   1       3.011  -8.532  -1.537
HETATM   30  C12 ORG A   1       1.530  -9.133  -0.086
HETATM   31  C13 ORG A   1       1.461 -10.626  -0.444
HETATM   32  H15 ORG A   1       2.232  -8.994   0.741
HETATM   33  H16 ORG A   1       0.540  -8.807   0.229
HETATM   34  H17 ORG A   1       0.736 -10.760  -1.255
HETATM   35  H18 ORG A   1       2.444 -10.963  -0.792
HETATM   36  C14 ORG A   1       1.045 -11.461   0.744
HETATM   37  C15 ORG A   1      -0.253 -12.180   0.770
HETATM   38  H19 ORG A   1       1.707 -11.525   1.595
HETATM   39  H20 ORG A   1      -0.940 -12.063  -0.054
HETATM   40  C16 ORG A   1      -0.645 -13.065   1.935
HETATM   41  C17 ORG A   1      -0.931 -14.501   1.455
HETATM   42  H21 ORG A   1       0.190 -13.109   2.641
HETATM   43  C18 ORG A   1      -1.858 -12.478   2.681
HETATM   44  H22 ORG A   1      -1.622 -11.469   3.031
HETATM   45  H23 ORG A   1      -2.718 -12.434   2.009
HETATM   46  H24 ORG A   1      -2.105 -13.109   3.539
HETATM   47  H25 ORG A   1      -1.779 -14.497   0.766
HETATM   48  H26 ORG A   1      -0.051 -14.900   0.941
HETATM   49  H27 ORG A   1      -1.168 -15.137   2.312
CONECT    1    2    3   10
CONECT    2    1    4    5
CONECT    3    1   14
CONECT    4    2   13
CONECT    5    2    6    7
CONECT    6    5
CONECT    7    5    8    9
CONECT    8    7
CONECT    9    7   10   11
CONECT   10    9   12    1
CONECT   11    9   18   19   20
CONECT   12   10
CONECT   13    4
CONECT   14    3   15   16   17
CONECT   15   14
CONECT   16   14
CONECT   17   14
CONECT   18   11
CONECT   19   11
CONECT   20   11   21   22
CONECT   21   20   23   24
CONECT   22   20
CONECT   23   21
CONECT   24   21   25   26   27
CONECT   25   24
CONECT   26   24
CONECT   27   24   28   29   30
CONECT   28   27
CONECT   29   27
CONECT   30   27   31   32   33
CONECT   31   30   34   35   36
CONECT   32   30
CONECT   33   30
CONECT   34   31
CONECT   35   31
CONECT   36   31   37   38
CONECT   37   36   39   40
CONECT   38   36
CONECT   39   37
CONECT   40   37   41   42   43
CONECT   41   40   47   48   49
CONECT   42   40
CONECT   43   40   44   45   46
CONECT   44   43
CONECT   45   43
CONECT   46   43
CONECT   47   41
CONECT   48   41
CONECT   49   41
END  
