HEADER
HETATM    1  C1  ORG A   1      -0.156   0.823  -1.313
HETATM    2  C2  ORG A   1      -0.151   0.547   0.167
HETATM    3  O1  ORG A   1      -0.177   1.980  -1.762
HETATM    4  O2  ORG A   1      -0.137  -0.237  -2.198
HETATM    5  H1  ORG A   1      -0.145   0.191  -3.058
HETATM    6  H2  ORG A   1       0.747  -0.029   0.411
HETATM    7  C3  ORG A   1      -0.174   1.822   1.006
HETATM    8  H3  ORG A   1      -1.027  -0.062   0.411
HETATM    9  H4  ORG A   1       0.699   2.425   0.755
HETATM   10  H5  ORG A   1      -1.068   2.393   0.756
HETATM   11  C4  ORG A   1      -0.168   1.533   2.505
HETATM   12  H6  ORG A   1       0.728   0.961   2.755
HETATM   13  C5  ORG A   1      -0.191   2.811   3.340
HETATM   14  H7  ORG A   1      -1.043   0.929   2.755
HETATM   15  H8  ORG A   1       0.683   3.415   3.091
HETATM   16  H9  ORG A   1      -1.088   3.382   3.092
HETATM   17  C6  ORG A   1      -0.186   2.521   4.839
HETATM   18  H10 ORG A   1       0.711   1.950   5.088
HETATM   19  C7  ORG A   1      -0.209   3.799   5.675
HETATM   20  H11 ORG A   1      -1.060   1.917   5.088
HETATM   21  H12 ORG A   1       0.666   4.403   5.427
HETATM   22  H13 ORG A   1      -1.106   4.371   5.428
HETATM   23  C8  ORG A   1      -0.203   3.508   7.174
HETATM   24  H14 ORG A   1       0.695   2.937   7.421
HETATM   25  C9  ORG A   1      -0.226   4.767   8.000
HETATM   26  H15 ORG A   1      -1.079   2.904   7.422
HETATM   27  H16 ORG A   1      -0.244   5.713   7.487
HETATM   28  C10 ORG A   1      -0.225   4.765   9.339
HETATM   29  C11 ORG A   1      -0.201   3.503  10.160
HETATM   30  H17 ORG A   1      -1.078   2.899   9.912
HETATM   31  H18 ORG A   1       0.697   2.932   9.911
HETATM   32  C12 ORG A   1      -0.206   3.788  11.660
HETATM   33  H19 ORG A   1      -1.103   4.359  11.911
HETATM   34  C13 ORG A   1      -0.182   2.508  12.492
HETATM   35  H20 ORG A   1       0.670   4.392  11.910
HETATM   36  H21 ORG A   1      -1.057   1.904  12.241
HETATM   37  H22 ORG A   1       0.715   1.937  12.241
HETATM   38  C14 ORG A   1      -0.186   2.792  13.992
HETATM   39  H23 ORG A   1      -1.082   3.362  14.244
HETATM   40  C15 ORG A   1      -0.162   1.510  14.823
HETATM   41  H24 ORG A   1       0.689   3.395  14.243
HETATM   42  H25 ORG A   1      -1.037   0.907  14.572
HETATM   43  H26 ORG A   1       0.734   0.940  14.571
HETATM   44  C16 ORG A   1      -0.166   1.793  16.323
HETATM   45  H27 ORG A   1      -1.062   2.363  16.576
HETATM   46  C17 ORG A   1      -0.142   0.513  17.154
HETATM   47  H28 ORG A   1       0.708   2.396  16.575
HETATM   48  H29 ORG A   1      -1.016  -0.091  16.906
HETATM   49  H30 ORG A   1       0.754  -0.059  16.905
HETATM   50  C18 ORG A   1      -0.146   0.793  18.650
HETATM   51  H31 ORG A   1      -1.044   1.347  18.923
HETATM   52  H32 ORG A   1      -0.129  -0.147  19.202
HETATM   53  H33 ORG A   1       0.731   1.380  18.922
HETATM   54  H34 ORG A   1      -0.242   5.709   9.856
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   54
CONECT   29   28   30   31   32
CONECT   30   29
CONECT   31   29
CONECT   32   29   33   34   35
CONECT   33   32
CONECT   34   32   36   37   38
CONECT   35   32
CONECT   36   34
CONECT   37   34
CONECT   38   34   39   40   41
CONECT   39   38
CONECT   40   38   42   43   44
CONECT   41   38
CONECT   42   40
CONECT   43   40
CONECT   44   40   45   46   47
CONECT   45   44
CONECT   46   44   48   49   50
CONECT   47   44
CONECT   48   46
CONECT   49   46
CONECT   50   46   51   52   53
CONECT   51   50
CONECT   52   50
CONECT   53   50
CONECT   54   28
END  
