HEADER
HETATM    1  C1  ORG A   1      -0.195   1.356  -1.809
HETATM    2  C2  ORG A   1      -0.187   1.004  -0.345
HETATM    3  O1  ORG A   1      -0.205   2.534  -2.198
HETATM    4  O2  ORG A   1      -0.191   0.342  -2.747
HETATM    5  H1  ORG A   1      -0.198   0.813  -3.584
HETATM    6  H2  ORG A   1       0.705   0.407  -0.135
HETATM    7  C3  ORG A   1      -0.193   2.236   0.558
HETATM    8  H3  ORG A   1      -1.069   0.394  -0.129
HETATM    9  H4  ORG A   1       0.686   2.841   0.334
HETATM   10  H5  ORG A   1      -1.081   2.828   0.341
HETATM   11  C4  ORG A   1      -0.184   1.870   2.040
HETATM   12  H6  ORG A   1       0.706   1.277   2.256
HETATM   13  C5  ORG A   1      -0.190   3.105   2.939
HETATM   14  H7  ORG A   1      -1.065   1.265   2.263
HETATM   15  H8  ORG A   1       0.691   3.710   2.717
HETATM   16  H9  ORG A   1      -1.080   3.698   2.724
HETATM   17  C6  ORG A   1      -0.181   2.739   4.422
HETATM   18  H10 ORG A   1       0.709   2.146   4.637
HETATM   19  C7  ORG A   1      -0.186   3.973   5.321
HETATM   20  H11 ORG A   1      -1.062   2.134   4.643
HETATM   21  H12 ORG A   1       0.695   4.579   5.100
HETATM   22  H13 ORG A   1      -1.077   4.567   5.107
HETATM   23  C8  ORG A   1      -0.178   3.607   6.803
HETATM   24  H14 ORG A   1       0.714   3.013   7.017
HETATM   25  C9  ORG A   1      -0.182   4.823   7.692
HETATM   26  H15 ORG A   1      -1.061   3.002   7.024
HETATM   27  H16 ORG A   1      -0.190   5.794   7.228
HETATM   28  C10 ORG A   1      -0.176   4.752   9.029
HETATM   29  C11 ORG A   1      -0.166   3.449   9.783
HETATM   30  H17 ORG A   1      -1.053   2.873   9.506
HETATM   31  H18 ORG A   1       0.725   2.882   9.496
HETATM   32  C12 ORG A   1      -0.158   3.644  11.276
HETATM   33  C13 ORG A   1      -0.149   2.626  12.146
HETATM   34  H19 ORG A   1      -0.161   4.649  11.662
HETATM   35  H20 ORG A   1      -0.144   2.849  13.199
HETATM   36  C14 ORG A   1      -0.144   1.181  11.720
HETATM   37  H21 ORG A   1       0.742   0.996  11.106
HETATM   38  C15 ORG A   1      -0.131   0.237  12.886
HETATM   39  H22 ORG A   1      -1.036   0.987  11.118
HETATM   40  H23 ORG A   1      -0.180   5.670   9.592
HETATM   41  C16 ORG A   1      -0.127  -1.176  12.384
HETATM   42  H24 ORG A   1       0.778   0.416  13.497
HETATM   43  H25 ORG A   1      -1.035   0.406  13.509
HETATM   44  H26 ORG A   1      -1.037  -1.354  11.773
HETATM   45  H27 ORG A   1       0.776  -1.345  11.761
HETATM   46  C17 ORG A   1      -0.115  -2.120  13.549
HETATM   47  C18 ORG A   1      -0.111  -3.533  13.048
HETATM   48  H28 ORG A   1       0.795  -1.942  14.160
HETATM   49  H29 ORG A   1      -1.018  -1.951  14.172
HETATM   50  H30 ORG A   1      -1.021  -3.712  12.437
HETATM   51  H31 ORG A   1       0.792  -3.702  12.424
HETATM   52  H32 ORG A   1      -0.102  -4.232  13.910
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   40
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   41   42   43
CONECT   39   36
CONECT   40   28
CONECT   41   38   44   45   46
CONECT   42   38
CONECT   43   38
CONECT   44   41
CONECT   45   41
CONECT   46   41   47   48   49
CONECT   47   46   50   51   52
CONECT   48   46
CONECT   49   46
CONECT   50   47
CONECT   51   47
CONECT   52   47
END  
