HEADER
HETATM    1  C1  ORG A   1      -3.553  -5.479   0.854
HETATM    2  C2  ORG A   1      -2.118  -5.791   0.402
HETATM    3  C3  ORG A   1      -1.303  -4.489   0.294
HETATM    4  C4  ORG A   1      -1.934  -3.525  -0.734
HETATM    5  C5  ORG A   1      -3.451  -3.565  -0.759
HETATM    6  C6  ORG A   1      -4.195  -4.423  -0.028
HETATM    7  C7  ORG A   1       0.201  -4.692  -0.059
HETATM    8  C8  ORG A   1      -1.251  -2.183  -0.476
HETATM    9  C9  ORG A   1       0.164  -2.260  -0.366
HETATM   10  C10 ORG A   1       0.933  -1.087  -0.228
HETATM   11  H1  ORG A   1       2.013  -1.165  -0.162
HETATM   12  C11 ORG A   1       0.318   0.178  -0.160
HETATM   13  C12 ORG A   1      -1.088   0.247  -0.203
HETATM   14  C13 ORG A   1      -1.882  -0.913  -0.341
HETATM   15  H2  ORG A   1      -4.141  -6.406   0.803
HETATM   16  H3  ORG A   1      -1.655  -6.474   1.128
HETATM   17  H4  ORG A   1      -3.964  -2.886  -1.435
HETATM   18  H5  ORG A   1      -1.580   1.208  -0.120
HETATM   19  O1  ORG A   1      -3.256  -0.694  -0.311
HETATM   20  H6  ORG A   1      -1.619  -3.852  -1.741
HETATM   21  H7  ORG A   1      -1.354  -3.999   1.280
HETATM   22  C14 ORG A   1      -5.709  -4.362  -0.110
HETATM   23  H8  ORG A   1      -6.057  -3.358   0.159
HETATM   24  H9  ORG A   1      -6.036  -4.594  -1.129
HETATM   25  H10 ORG A   1      -6.155  -5.087   0.580
HETATM   26  C15 ORG A   1       1.150   1.440  -0.013
HETATM   27  H11 ORG A   1       1.779   1.356   0.883
HETATM   28  H12 ORG A   1       0.485   2.305   0.112
HETATM   29  C16 ORG A   1       2.045   1.687  -1.240
HETATM   30  H13 ORG A   1       2.729   0.843  -1.361
HETATM   31  H14 ORG A   1       1.412   1.760  -2.127
HETATM   32  C17 ORG A   1       2.870   2.978  -1.106
HETATM   33  H15 ORG A   1       3.503   2.906  -0.221
HETATM   34  H16 ORG A   1       2.191   3.823  -0.991
HETATM   35  C18 ORG A   1       3.764   3.228  -2.332
HETATM   36  H17 ORG A   1       4.450   2.390  -2.450
HETATM   37  H18 ORG A   1       3.138   3.308  -3.220
HETATM   38  C19 ORG A   1       4.585   4.515  -2.197
HETATM   39  H19 ORG A   1       5.227   4.445  -1.320
HETATM   40  H20 ORG A   1       5.201   4.648  -3.088
HETATM   41  H21 ORG A   1       3.913   5.365  -2.091
HETATM   42  O2  ORG A   1       0.859  -3.470  -0.380
HETATM   43  H22 ORG A   1      -3.547  -5.125   1.895
HETATM   44  H23 ORG A   1      -2.158  -6.284  -0.576
HETATM   45  C20 ORG A   1       0.938  -5.293   1.164
HETATM   46  H24 ORG A   1       0.529  -6.279   1.419
HETATM   47  H25 ORG A   1       2.002  -5.401   0.931
HETATM   48  H26 ORG A   1       0.835  -4.626   2.027
HETATM   49  C21 ORG A   1       0.389  -5.643  -1.269
HETATM   50  H27 ORG A   1       1.455  -5.729  -1.497
HETATM   51  H28 ORG A   1      -0.003  -6.643  -1.041
HETATM   52  H29 ORG A   1      -0.124  -5.247  -2.153
HETATM   53  H30 ORG A   1      -3.693  -1.544  -0.221
CONECT    1    2    6   15   43
CONECT    2    1    3   16   44
CONECT    3    2    4    7   21
CONECT    4    3    5    8   20
CONECT    5    4    6   17
CONECT    6    1    5   22
CONECT    7    3   42   45   49
CONECT    8    4    9   14
CONECT    9    8   10   42
CONECT   10    9   11   12
CONECT   11   10
CONECT   12   10   13   26
CONECT   13   12   14   18
CONECT   14    8   13   19
CONECT   15    1
CONECT   16    2
CONECT   17    5
CONECT   18   13
CONECT   19   14   53
CONECT   20    4
CONECT   21    3
CONECT   22    6   23   24   25
CONECT   23   22
CONECT   24   22
CONECT   25   22
CONECT   26   12   27   28   29
CONECT   27   26
CONECT   28   26
CONECT   29   26   30   31   32
CONECT   30   29
CONECT   31   29
CONECT   32   29   33   34   35
CONECT   33   32
CONECT   34   32
CONECT   35   32   36   37   38
CONECT   36   35
CONECT   37   35
CONECT   38   35   39   40   41
CONECT   39   38
CONECT   40   38
CONECT   41   38
CONECT   42    7    9
CONECT   43    1
CONECT   44    2
CONECT   45    7   46   47   48
CONECT   46   45
CONECT   47   45
CONECT   48   45
CONECT   49    7   50   51   52
CONECT   50   49
CONECT   51   49
CONECT   52   49
CONECT   53   19
END  
