HEADER
HETATM    1  C1  ORG A   1      -0.211   1.004  -0.766
HETATM    2  C2  ORG A   1      -0.177   1.154   0.633
HETATM    3  H1  ORG A   1      -0.513   1.844  -1.386
HETATM    4  H2  ORG A   1      -0.450   2.110   1.072
HETATM    5  C3  ORG A   1       0.209   0.078   1.462
HETATM    6  C4  ORG A   1       0.252   0.257   2.975
HETATM    7  C5  ORG A   1       0.558  -1.154   0.863
HETATM    8  H3  ORG A   1       0.851  -1.993   1.480
HETATM    9  C6  ORG A   1       0.524  -1.304  -0.536
HETATM   10  C7  ORG A   1       0.142  -0.226  -1.364
HETATM   11  H4  ORG A   1       0.796  -2.259  -0.978
HETATM   12  C8  ORG A   1       0.110  -0.391  -2.874
HETATM   13  C9  ORG A   1       1.689   0.097   3.507
HETATM   14  H5  ORG A   1      -0.067   1.285   3.212
HETATM   15  C10 ORG A   1      -0.691  -0.687   3.694
HETATM   16  H6  ORG A   1      -0.903  -0.158  -3.236
HETATM   17  C11 ORG A   1       1.127   0.520  -3.598
HETATM   18  H7  ORG A   1       0.333  -1.434  -3.134
HETATM   19  C12 ORG A   1       0.984   0.389  -5.126
HETATM   20  H8  ORG A   1       0.912   1.557  -3.336
HETATM   21  C13 ORG A   1       2.572   0.213  -3.160
HETATM   22  H9  ORG A   1       2.050  -0.918   3.318
HETATM   23  H10 ORG A   1       2.353   0.814   3.011
HETATM   24  H11 ORG A   1       1.697   0.281   4.582
HETATM   25  O1  ORG A   1      -0.822  -0.618   5.072
HETATM   26  O2  ORG A   1      -1.438  -1.621   3.016
HETATM   27  H12 ORG A   1      -1.469  -1.304   5.274
HETATM   28  H13 ORG A   1       2.822  -0.818  -3.416
HETATM   29  H14 ORG A   1       3.264   0.888  -3.673
HETATM   30  H15 ORG A   1       2.669   0.351  -2.081
HETATM   31  H16 ORG A   1      -0.035   0.649  -5.429
HETATM   32  H17 ORG A   1       1.687   1.062  -5.621
HETATM   33  H18 ORG A   1       1.198  -0.638  -5.428
CONECT    1    2    3   10
CONECT    2    1    4    5
CONECT    3    1
CONECT    4    2
CONECT    5    2    6    7
CONECT    6    5   13   14   15
CONECT    7    5    8    9
CONECT    8    7
CONECT    9    7   10   11
CONECT   10    9   12    1
CONECT   11    9
CONECT   12   10   16   17   18
CONECT   13    6   22   23   24
CONECT   14    6
CONECT   15    6   25   26
CONECT   16   12
CONECT   17   12   19   20   21
CONECT   18   12
CONECT   19   17   31   32   33
CONECT   20   17
CONECT   21   17   28   29   30
CONECT   22   13
CONECT   23   13
CONECT   24   13
CONECT   25   15   27
CONECT   26   15
CONECT   27   25
CONECT   28   21
CONECT   29   21
CONECT   30   21
CONECT   31   19
CONECT   32   19
CONECT   33   19
END  
