COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.468   0.254   0.034  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.528   1.916  -2.941  1.00  0.00           C  
HETATM    3  C   UNL     1       0.296   2.112  -1.665  1.00  0.00           C  
HETATM    4  C   UNL     1       2.382   1.182  -0.816  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.370   0.644  -2.836  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.695   0.842  -3.575  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.628   2.136  -0.474  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.503   2.501   1.503  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.878  -1.464   1.371  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.707   1.250   1.123  1.00  0.00           C  
HETATM   11 CL   UNL     1       5.441  -4.824  -0.350  1.00  0.00          Cl  
HETATM   12  C   UNL     1       7.620  -1.662   0.760  1.00  0.00           C  
HETATM   13  C   UNL     1       7.220  -2.951   0.460  1.00  0.00           C  
HETATM   14  C   UNL     1       5.929  -3.200   0.022  1.00  0.00           C  
HETATM   15  C   UNL     1       5.029  -2.164  -0.119  1.00  0.00           C  
HETATM   16  C   UNL     1       5.421  -0.855   0.181  1.00  0.00           C  
HETATM   17  C   UNL     1       6.731  -0.608   0.624  1.00  0.00           C  
HETATM   18  N   UNL     1       7.135   0.696   0.928  1.00  0.00           N  
HETATM   19  C   UNL     1       7.784   1.117   2.036  1.00  0.00           C  
HETATM   20  N   UNL     1       7.972   2.404   1.910  1.00  0.00           N  
HETATM   21  N   UNL     1       7.485   2.826   0.799  1.00  0.00           N  
HETATM   22  N   UNL     1       6.958   1.849   0.144  1.00  0.00           N  
HETATM   23  C   UNL     1       3.333   0.080  -0.675  1.00  0.00           C  
HETATM   24  O   UNL     1       2.614   2.257  -0.294  1.00  0.00           O  
HETATM   25  N   UNL     1       1.248   1.008  -1.524  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.401   2.730   0.716  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.366   1.774   0.761  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.800   1.567  -0.451  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.273   1.443   2.372  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.525   0.923   2.642  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.213   0.210   1.667  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.650   0.016   0.410  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.402   0.533   0.137  1.00  0.00           C  
HETATM   34  N   UNL     1      -7.480  -0.314   1.951  1.00  0.00           N  
HETATM   35  O   UNL     1      -7.106  -2.094   0.678  1.00  0.00           O  
HETATM   36  O   UNL     1      -9.133  -1.913   1.562  1.00  0.00           O  
HETATM   37  C   UNL     1      -9.493  -3.158   0.907  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.578  -0.398  -3.418  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.352  -0.293  -2.121  1.00  0.00           C  
HETATM   40  N   UNL     1      -3.776   0.378  -1.104  1.00  0.00           N  
HETATM   41  O   UNL     1      -5.450  -0.794  -2.002  1.00  0.00           O  
HETATM   42  H   UNL     1       4.674   1.208   0.498  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.185   2.774  -3.081  1.00  0.00           H  
HETATM   44  H   UNL     1       0.144   1.836  -3.795  1.00  0.00           H  
HETATM   45  H   UNL     1       0.838   3.056  -1.724  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.827  -0.189  -3.283  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.569   0.426  -1.787  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.213   1.708  -3.163  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.497   1.012  -4.634  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.650   2.838   2.519  1.00  0.00           H  
HETATM   51  H   UNL     1       8.627  -1.477   1.104  1.00  0.00           H  
HETATM   52  H   UNL     1       7.918  -3.768   0.567  1.00  0.00           H  
HETATM   53  H   UNL     1       4.024  -2.362  -0.461  1.00  0.00           H  
HETATM   54  H   UNL     1       8.091   0.503   2.870  1.00  0.00           H  
HETATM   55  H   UNL     1       3.127  -0.874  -1.138  1.00  0.00           H  
HETATM   56  H   UNL     1       1.063   0.152  -1.940  1.00  0.00           H  
HETATM   57  H   UNL     1       0.393   3.226   0.969  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.740   1.996   3.131  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.970   1.070   3.615  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.186  -0.537  -0.346  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.070   0.151   2.564  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.529  -3.406   1.143  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.383  -3.047  -0.171  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.840  -3.956   1.260  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.274  -0.459  -4.254  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.952  -1.291  -3.399  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.897   0.767  -1.237  1.00  0.00           H  
CONECT    1   16   23   23   42                                       
CONECT    2    5    3   43   44                                       
CONECT    3    2   25    7   45                                       
CONECT    4   25   23   24   24                                       
CONECT    5    2    6   46   47                                       
CONECT    6    5   38   48   49                                       
CONECT    7   26    3   28   28                                       
CONECT    8   26   27   27   50                                       
CONECT    9   35   35   34   36                                       
CONECT   10   27   29   29   33                                       
CONECT   11   14                                                      
CONECT   12   17   17   13   51                                       
CONECT   13   12   14   14   52                                       
CONECT   14   13   13   15   11                                       
CONECT   15   16   16   14   53                                       
CONECT   16   17    1   15   15                                       
CONECT   17   18   12   12   16                                       
CONECT   18   19   22   17                                            
CONECT   19   20   20   18   54                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   22                                            
CONECT   22   21   21   18                                            
CONECT   23    1    1    4   55                                       
CONECT   24    4    4                                                 
CONECT   25    3    4   56                                            
CONECT   26    8    7   57                                            
CONECT   27    8    8   28   10                                       
CONECT   28    7    7   27                                            
CONECT   29   10   10   30   58                                       
CONECT   30   29   31   31   59                                       
CONECT   31   30   30   32   34                                       
CONECT   32   33   33   31   60                                       
CONECT   33   10   40   32   32                                       
CONECT   34   31    9   61                                            
CONECT   35    9    9                                                 
CONECT   36    9   37                                                 
CONECT   37   36   62   63   64                                       
CONECT   38    6   39   65   66                                       
CONECT   39   41   41   38   40                                       
CONECT   40   39   33   67                                            
CONECT   41   39   39                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   19                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   32                                                      
CONECT   61   34                                                      
CONECT   62   37                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   40                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
