COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.968  -0.482   0.106  1.00  0.00           C  
HETATM    2  C   UNL     1       2.440  -0.364   0.128  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.853   0.352  -0.142  1.00  0.00           C  
HETATM    4  C   UNL     1       1.054  -2.965   0.443  1.00  0.00           C  
HETATM    5  C   UNL     1       1.740  -3.372  -0.867  1.00  0.00           C  
HETATM    6  C   UNL     1       2.385  -2.147  -1.515  1.00  0.00           C  
HETATM    7  C   UNL     1       4.554  -1.486  -0.386  1.00  0.00           C  
HETATM    8  C   UNL     1       5.252  -0.167  -0.593  1.00  0.00           C  
HETATM    9  C   UNL     1       6.366   0.151   0.161  1.00  0.00           C  
HETATM   10  C   UNL     1       7.007   1.362  -0.029  1.00  0.00           C  
HETATM   11  C   UNL     1       6.532   2.255  -0.974  1.00  0.00           C  
HETATM   12  C   UNL     1       5.418   1.936  -1.727  1.00  0.00           C  
HETATM   13  C   UNL     1       4.782   0.723  -1.540  1.00  0.00           C  
HETATM   14  C   UNL     1       4.826  -1.990   1.033  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.315   0.197  -0.176  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.329  -0.839  -0.672  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.720  -0.201  -0.714  1.00  0.00           C  
HETATM   18  N   UNL     1       0.338  -1.702   0.259  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.551   0.492  -0.109  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.990  -1.506   0.203  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.225  -0.160   0.011  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.668  -0.229  -0.035  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.995  -0.426  -0.060  1.00  0.00           N  
HETATM   24  C   UNL     1       0.032   0.482  -0.047  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.173   1.293   1.080  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.906   2.438  -0.398  1.00  0.00           C  
HETATM   27  O   UNL     1       3.012   0.522   0.736  1.00  0.00           O  
HETATM   28  O   UNL     1     -10.059   0.287   0.585  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.648   1.874  -0.303  1.00  0.00           C  
HETATM   30  N   UNL     1       3.111  -1.310  -0.573  1.00  0.00           N  
HETATM   31 CL   UNL     1       8.406   1.762   0.918  1.00  0.00          Cl  
HETATM   32  C   UNL     1      -7.760   0.715   1.195  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.974   1.659  -0.320  1.00  0.00           N  
HETATM   34  O   UNL     1       4.442  -0.988   1.976  1.00  0.00           O  
HETATM   35  H   UNL     1       0.349  -3.741   0.739  1.00  0.00           H  
HETATM   36  H   UNL     1       1.806  -2.842   1.223  1.00  0.00           H  
HETATM   37  H   UNL     1       2.507  -4.117  -0.658  1.00  0.00           H  
HETATM   38  H   UNL     1       1.000  -3.794  -1.547  1.00  0.00           H  
HETATM   39  H   UNL     1       3.075  -2.484  -2.288  1.00  0.00           H  
HETATM   40  H   UNL     1       1.603  -1.548  -1.982  1.00  0.00           H  
HETATM   41  H   UNL     1       4.927  -2.212  -1.107  1.00  0.00           H  
HETATM   42  H   UNL     1       6.736  -0.546   0.899  1.00  0.00           H  
HETATM   43  H   UNL     1       7.030   3.202  -1.120  1.00  0.00           H  
HETATM   44  H   UNL     1       5.048   2.632  -2.464  1.00  0.00           H  
HETATM   45  H   UNL     1       3.911   0.474  -2.129  1.00  0.00           H  
HETATM   46  H   UNL     1       4.250  -2.898   1.213  1.00  0.00           H  
HETATM   47  H   UNL     1       5.888  -2.206   1.144  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.268   1.027  -0.881  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.050  -1.172  -1.671  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.340  -1.691   0.008  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.719   0.627  -1.424  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.452  -0.946  -1.026  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.745  -2.272   0.294  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.920  -1.384   0.074  1.00  0.00           H  
HETATM   55  H   UNL     1       0.211   1.538  -0.187  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.164   2.140   0.394  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.511   1.625   2.062  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.016   3.502  -0.548  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.761   2.487  -0.363  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.760  -0.106   1.912  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.074   1.493   1.531  1.00  0.00           H  
HETATM   62  H   UNL     1       4.587  -1.240   2.899  1.00  0.00           H  
CONECT    1   24   24    2   18                                       
CONECT    2   27   27    1   30                                       
CONECT    3   33   33   22   23                                       
CONECT    4   18    5   35   36                                       
CONECT    5    6    4   37   38                                       
CONECT    6   30    5   39   40                                       
CONECT    7    8   30   14   41                                       
CONECT    8   13   13    9    7                                       
CONECT    9   10   10    8   42                                       
CONECT   10   11   31    9    9                                       
CONECT   11   12   12   10   43                                       
CONECT   12   11   11   13   44                                       
CONECT   13   12    8    8   45                                       
CONECT   14    7   34   46   47                                       
CONECT   15   23   16   32   48                                       
CONECT   16   15   17   49   50                                       
CONECT   17   16   28   51   52                                       
CONECT   18    1   20    4                                            
CONECT   19   29   21   22   22                                       
CONECT   20   21   21   18   53                                       
CONECT   21   24   19   20   20                                       
CONECT   22   19   19    3                                            
CONECT   23    3   15   54                                            
CONECT   24   21    1    1   55                                       
CONECT   25   32   28   56   57                                       
CONECT   26   29   29   33   58                                       
CONECT   27    2    2                                                 
CONECT   28   17   25                                                 
CONECT   29   26   26   19   59                                       
CONECT   30    2    7    6                                            
CONECT   31   10                                                      
CONECT   32   15   25   60   61                                       
CONECT   33   26    3    3                                            
CONECT   34   14   62                                                 
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   20                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
