HEADER
HETATM    1  C1  ORG A   1      -0.195   1.361  -1.796
HETATM    2  C2  ORG A   1      -0.188   1.009  -0.332
HETATM    3  O1  ORG A   1      -0.205   2.540  -2.184
HETATM    4  O2  ORG A   1      -0.192   0.348  -2.734
HETATM    5  H1  ORG A   1      -0.199   0.819  -3.571
HETATM    6  H2  ORG A   1       0.704   0.411  -0.122
HETATM    7  C3  ORG A   1      -0.192   2.240   0.572
HETATM    8  H3  ORG A   1      -1.070   0.399  -0.115
HETATM    9  H4  ORG A   1       0.687   2.845   0.348
HETATM   10  H5  ORG A   1      -1.081   2.834   0.354
HETATM   11  C4  ORG A   1      -0.184   1.875   2.054
HETATM   12  H6  ORG A   1       0.706   1.281   2.270
HETATM   13  C5  ORG A   1      -0.189   3.110   2.952
HETATM   14  H7  ORG A   1      -1.065   1.270   2.277
HETATM   15  H8  ORG A   1       0.692   3.715   2.730
HETATM   16  H9  ORG A   1      -1.079   3.703   2.736
HETATM   17  C6  ORG A   1      -0.181   2.746   4.435
HETATM   18  H10 ORG A   1       0.709   2.152   4.651
HETATM   19  C7  ORG A   1      -0.186   3.981   5.333
HETATM   20  H11 ORG A   1      -1.062   2.141   4.658
HETATM   21  H12 ORG A   1       0.696   4.586   5.111
HETATM   22  H13 ORG A   1      -1.076   4.574   5.118
HETATM   23  C8  ORG A   1      -0.178   3.618   6.816
HETATM   24  H14 ORG A   1       0.714   3.025   7.034
HETATM   25  C9  ORG A   1      -0.182   4.835   7.701
HETATM   26  H15 ORG A   1      -1.060   3.013   7.041
HETATM   27  H16 ORG A   1      -0.190   5.808   7.244
HETATM   28  C10 ORG A   1      -0.177   4.736   9.036
HETATM   29  C11 ORG A   1      -0.181   5.953   9.920
HETATM   30  H17 ORG A   1       0.702   6.558   9.696
HETATM   31  H18 ORG A   1      -1.073   6.548   9.701
HETATM   32  C12 ORG A   1      -0.175   5.605  11.384
HETATM   33  C13 ORG A   1      -0.178   6.550  12.332
HETATM   34  H19 ORG A   1      -0.169   4.569  11.672
HETATM   35  H20 ORG A   1      -0.184   7.586  12.044
HETATM   36  C14 ORG A   1      -0.172   6.202  13.796
HETATM   37  H21 ORG A   1       0.720   5.607  14.016
HETATM   38  C15 ORG A   1      -0.175   7.419  14.681
HETATM   39  H22 ORG A   1      -1.056   5.598  14.021
HETATM   40  H23 ORG A   1      -0.181   8.393  14.224
HETATM   41  C16 ORG A   1      -0.172   7.321  16.015
HETATM   42  C17 ORG A   1      -0.175   8.537  16.901
HETATM   43  H24 ORG A   1      -0.166   6.348  16.473
HETATM   44  H25 ORG A   1       0.708   9.141  16.681
HETATM   45  H26 ORG A   1      -1.065   9.133  16.685
HETATM   46  C18 ORG A   1      -0.170   8.178  18.380
HETATM   47  H27 ORG A   1       0.721   7.598  18.619
HETATM   48  H28 ORG A   1      -0.173   9.088  18.982
HETATM   49  H29 ORG A   1      -1.055   7.590  18.623
HETATM   50  H30 ORG A   1      -0.170   3.762   9.492
CONECT    1    2    3    4
CONECT    2    1    6    7    8
CONECT    3    1
CONECT    4    1    5
CONECT    5    4
CONECT    6    2
CONECT    7    2    9   10   11
CONECT    8    2
CONECT    9    7
CONECT   10    7
CONECT   11    7   12   13   14
CONECT   12   11
CONECT   13   11   15   16   17
CONECT   14   11
CONECT   15   13
CONECT   16   13
CONECT   17   13   18   19   20
CONECT   18   17
CONECT   19   17   21   22   23
CONECT   20   17
CONECT   21   19
CONECT   22   19
CONECT   23   19   24   25   26
CONECT   24   23
CONECT   25   23   27   28
CONECT   26   23
CONECT   27   25
CONECT   28   25   29   50
CONECT   29   28   30   31   32
CONECT   30   29
CONECT   31   29
CONECT   32   29   33   34
CONECT   33   32   35   36
CONECT   34   32
CONECT   35   33
CONECT   36   33   37   38   39
CONECT   37   36
CONECT   38   36   40   41
CONECT   39   36
CONECT   40   38
CONECT   41   38   42   43
CONECT   42   41   44   45   46
CONECT   43   41
CONECT   44   42
CONECT   45   42
CONECT   46   42   47   48   49
CONECT   47   46
CONECT   48   46
CONECT   49   46
CONECT   50   28
END  
