HEADER
HETATM    1  C1  ORG A   1      -0.635  -0.451  -0.375
HETATM    2  O1  ORG A   1       0.577   0.157   0.001
HETATM    3  H1  ORG A   1      -1.212   0.243  -0.992
HETATM    4  C2  ORG A   1      -0.278  -1.711  -1.176
HETATM    5  C3  ORG A   1      -1.424  -0.798   0.893
HETATM    6  O2  ORG A   1      -1.386  -2.566  -1.372
HETATM    7  H2  ORG A   1       0.077  -1.397  -2.166
HETATM    8  O3  ORG A   1       0.787  -2.327  -0.481
HETATM    9  C4  ORG A   1      -2.037  -2.969  -0.184
HETATM   10  C5  ORG A   1      -2.584  -1.737   0.553
HETATM   11  H3  ORG A   1      -0.759  -1.309   1.594
HETATM   12  O4  ORG A   1      -1.908   0.356   1.537
HETATM   13  C6  ORG A   1      -3.145  -3.981  -0.509
HETATM   14  H4  ORG A   1      -1.307  -3.471   0.456
HETATM   15  H5  ORG A   1      -3.292  -1.213  -0.094
HETATM   16  O5  ORG A   1      -3.262  -2.078   1.740
HETATM   17  H6  ORG A   1       1.153  -0.601   0.128
HETATM   18  H7  ORG A   1      -1.179   0.978   1.496
HETATM   19  H8  ORG A   1      -3.253  -1.267   2.248
HETATM   20  O6  ORG A   1      -3.745  -4.512   0.647
HETATM   21  H9  ORG A   1      -3.919  -3.506  -1.117
HETATM   22  H10 ORG A   1      -2.726  -4.819  -1.057
HETATM   23  H11 ORG A   1      -3.826  -3.782   1.252
HETATM   24  C7  ORG A   1       1.894  -2.750  -1.257
HETATM   25  O7  ORG A   1       1.492  -3.245  -2.525
HETATM   26  C8  ORG A   1       2.915  -1.608  -1.373
HETATM   27  C9  ORG A   1       2.572  -3.938  -0.544
HETATM   28  C10 ORG A   1       1.771  -5.120  -1.087
HETATM   29  H12 ORG A   1       3.609  -4.035  -0.889
HETATM   30  O8  ORG A   1       2.587  -3.800   0.856
HETATM   31  H13 ORG A   1       2.446  -0.715  -1.799
HETATM   32  O9  ORG A   1       3.411  -1.311  -0.087
HETATM   33  H14 ORG A   1       3.753  -1.912  -2.012
HETATM   34  C11 ORG A   1       1.536  -4.663  -2.536
HETATM   35  C12 ORG A   1       0.288  -5.292  -3.162
HETATM   36  H15 ORG A   1       2.409  -4.958  -3.134
HETATM   37  O10 ORG A   1       2.454  -6.348  -1.010
HETATM   38  H16 ORG A   1       0.819  -5.193  -0.562
HETATM   39  H17 ORG A   1       3.960  -0.531  -0.193
HETATM   40  H18 ORG A   1       2.894  -2.901   0.994
HETATM   41  H19 ORG A   1       2.708  -6.446  -0.087
HETATM   42  H20 ORG A   1       0.370  -6.378  -3.129
HETATM   43  O11 ORG A   1      -0.893  -4.942  -2.485
HETATM   44  H21 ORG A   1       0.192  -4.966  -4.203
HETATM   45  H22 ORG A   1      -0.832  -4.001  -2.353
CONECT    1    2    3    4    5
CONECT    2    1   17
CONECT    3    1
CONECT    4    1    6    7    8
CONECT    5    1   10   11   12
CONECT    6    4    9
CONECT    7    4
CONECT    8    4   24
CONECT    9    6   13   14   10
CONECT   10    5   15   16    9
CONECT   11    5
CONECT   12    5   18
CONECT   13    9   20   21   22
CONECT   14    9
CONECT   15   10
CONECT   16   10   19
CONECT   17    2
CONECT   18   12
CONECT   19   16
CONECT   20   13   23
CONECT   21   13
CONECT   22   13
CONECT   23   20
CONECT   24    8   25   26   27
CONECT   25   24   34
CONECT   26   24   31   32   33
CONECT   27   24   28   29   30
CONECT   28   27   37   38   34
CONECT   29   27
CONECT   30   27   40
CONECT   31   26
CONECT   32   26   39
CONECT   33   26
CONECT   34   25   35   36   28
CONECT   35   34   42   43   44
CONECT   36   34
CONECT   37   28   41
CONECT   38   28
CONECT   39   32
CONECT   40   30
CONECT   41   37
CONECT   42   35
CONECT   43   35   45
CONECT   44   35
CONECT   45   43
END  
