COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      10.748  -2.384   0.943  1.00  0.00           C  
HETATM    2  C   UNK A   0      10.083  -1.446  -0.031  1.00  0.00           C  
HETATM    3  O   UNK A   0       9.293  -1.876  -0.845  1.00  0.00           O  
HETATM    4  N   UNK A   0      10.368  -0.128   0.001  1.00  0.00           N  
HETATM    5  C   UNK A   0       9.722   0.783  -0.947  1.00  0.00           C  
HETATM    6  C   UNK A   0      10.604   2.021  -1.150  1.00  0.00           C  
HETATM    7  O   UNK A   0      11.817   1.646  -1.806  1.00  0.00           O  
HETATM    8  C   UNK A   0       9.840   3.029  -2.017  1.00  0.00           C  
HETATM    9  O   UNK A   0      10.580   4.249  -2.098  1.00  0.00           O  
HETATM   10  C   UNK A   0       8.475   3.299  -1.381  1.00  0.00           C  
HETATM   11  C   UNK A   0       7.718   4.330  -2.222  1.00  0.00           C  
HETATM   12  O   UNK A   0       6.497   4.676  -1.566  1.00  0.00           O  
HETATM   13  O   UNK A   0       7.721   2.090  -1.322  1.00  0.00           O  
HETATM   14  C   UNK A   0       8.366   1.224  -0.391  1.00  0.00           C  
HETATM   15  O   UNK A   0       7.548   0.073  -0.167  1.00  0.00           O  
HETATM   16  C   UNK A   0       6.350   0.534   0.462  1.00  0.00           C  
HETATM   17  C   UNK A   0       6.530   0.518   1.991  1.00  0.00           C  
HETATM   18  O   UNK A   0       6.940  -0.850   2.339  1.00  0.00           O  
HETATM   19  C   UNK A   0       5.143   0.645   2.665  1.00  0.00           C  
HETATM   20  O   UNK A   0       4.681  -0.709   2.818  1.00  0.00           O  
HETATM   21  C   UNK A   0       5.687  -1.564   2.246  1.00  0.00           C  
HETATM   22  C   UNK A   0       5.369  -1.748   0.754  1.00  0.00           C  
HETATM   23  N   UNK A   0       6.485  -2.428   0.091  1.00  0.00           N  
HETATM   24  C   UNK A   0       6.552  -3.774   0.096  1.00  0.00           C  
HETATM   25  C   UNK A   0       7.699  -4.474  -0.585  1.00  0.00           C  
HETATM   26  O   UNK A   0       5.688  -4.422   0.649  1.00  0.00           O  
HETATM   27  C   UNK A   0       5.160  -0.369   0.119  1.00  0.00           C  
HETATM   28  O   UNK A   0       3.958   0.213   0.628  1.00  0.00           O  
HETATM   29  C   UNK A   0       2.901  -0.194  -0.243  1.00  0.00           C  
HETATM   30  C   UNK A   0       2.744   0.831  -1.368  1.00  0.00           C  
HETATM   31  C   UNK A   0       1.614  -0.284   0.537  1.00  0.00           C  
HETATM   32  O   UNK A   0       1.584   0.061   1.699  1.00  0.00           O  
HETATM   33  N   UNK A   1       0.497  -0.748  -0.058  1.00  0.00           N  
HETATM   34  C   UNK A   1      -0.754  -0.836   0.700  1.00  0.00           C  
HETATM   35  C   UNK A   1      -1.470   0.516   0.660  1.00  0.00           C  
HETATM   36  C   UNK A   1      -1.638  -1.892   0.088  1.00  0.00           C  
HETATM   37  O   UNK A   1      -1.261  -2.510  -0.884  1.00  0.00           O  
HETATM   38  N   UNK A   2      -2.849  -2.149   0.623  1.00  0.00           N  
HETATM   39  C   UNK A   2      -3.708  -3.175   0.029  1.00  0.00           C  
HETATM   40  C   UNK A   2      -3.336  -4.526   0.584  1.00  0.00           C  
HETATM   41  O   UNK A   2      -3.996  -5.623   0.180  1.00  0.00           O  
HETATM   42  O   UNK A   2      -2.444  -4.621   1.394  1.00  0.00           O  
HETATM   43  C   UNK A   2      -5.170  -2.872   0.362  1.00  0.00           C  
HETATM   44  C   UNK A   2      -5.584  -1.560  -0.307  1.00  0.00           C  
HETATM   45  C   UNK A   2      -7.024  -1.260   0.022  1.00  0.00           C  
HETATM   46  O   UNK A   2      -7.657  -2.022   0.722  1.00  0.00           O  
HETATM   47  N   UNK A   2      -7.609  -0.147  -0.463  1.00  0.00           N  
HETATM   48  C   UNK A   1      -9.009   0.144  -0.144  1.00  0.00           C  
HETATM   49  C   UNK A   1      -9.906  -0.577  -1.116  1.00  0.00           C  
HETATM   50  O   UNK A   1      -9.424  -1.265  -1.991  1.00  0.00           O  
HETATM   51  N   UNK A   2     -11.245  -0.456  -1.015  1.00  0.00           N  
HETATM   52  C   UNK A   2     -12.117  -1.156  -1.961  1.00  0.00           C  
HETATM   53  C   UNK A   2     -12.284  -0.310  -3.224  1.00  0.00           C  
HETATM   54  C   UNK A   2     -13.466  -1.383  -1.327  1.00  0.00           C  
HETATM   55  O   UNK A   2     -13.676  -0.999  -0.201  1.00  0.00           O  
HETATM   56  O   UNK A   2     -14.433  -2.012  -2.014  1.00  0.00           O  
HETATM   57  C   UNK A   1      -9.253   1.651  -0.245  1.00  0.00           C  
HETATM   58  C   UNK A   1      -8.434   2.373   0.827  1.00  0.00           C  
HETATM   59  C   UNK A   1      -8.678   3.880   0.726  1.00  0.00           C  
HETATM   60  C   UNK A   1      -7.860   4.602   1.799  1.00  0.00           C  
HETATM   61  C   UNK A   1      -8.193   6.072   1.780  1.00  0.00           C  
HETATM   62  O   UNK A   1      -7.455   6.851   1.224  1.00  0.00           O  
HETATM   63  O   UNK A   1      -9.308   6.515   2.380  1.00  0.00           O  
HETATM   64  N   UNK A   1      -6.428   4.421   1.526  1.00  0.00           N  
HETATM   65  H   UNK A   0      11.419  -1.819   1.590  1.00  0.00           H  
HETATM   66  H   UNK A   0       9.987  -2.875   1.550  1.00  0.00           H  
HETATM   67  H   UNK A   0      11.316  -3.134   0.395  1.00  0.00           H  
HETATM   68  H   UNK A   0      11.000   0.216   0.651  1.00  0.00           H  
HETATM   69  H   UNK A   0       9.579   0.277  -1.901  1.00  0.00           H  
HETATM   70  H   UNK A   0      10.834   2.470  -0.184  1.00  0.00           H  
HETATM   71  H   UNK A   0      12.332   2.456  -1.924  1.00  0.00           H  
HETATM   72  H   UNK A   0       9.702   2.619  -3.017  1.00  0.00           H  
HETATM   73  H   UNK A   0      10.061   4.854  -2.645  1.00  0.00           H  
HETATM   74  H   UNK A   0       8.615   3.688  -0.372  1.00  0.00           H  
HETATM   75  H   UNK A   0       8.333   5.222  -2.341  1.00  0.00           H  
HETATM   76  H   UNK A   0       7.497   3.907  -3.202  1.00  0.00           H  
HETATM   77  H   UNK A   0       6.053   5.326  -2.128  1.00  0.00           H  
HETATM   78  H   UNK A   0       8.515   1.751   0.552  1.00  0.00           H  
HETATM   79  H   UNK A   0       6.129   1.548   0.130  1.00  0.00           H  
HETATM   80  H   UNK A   0       7.238   1.271   2.339  1.00  0.00           H  
HETATM   81  H   UNK A   0       4.462   1.208   2.027  1.00  0.00           H  
HETATM   82  H   UNK A   0       5.238   1.126   3.638  1.00  0.00           H  
HETATM   83  H   UNK A   0       5.736  -2.522   2.762  1.00  0.00           H  
HETATM   84  H   UNK A   0       4.462  -2.342   0.644  1.00  0.00           H  
HETATM   85  H   UNK A   0       7.176  -1.910  -0.351  1.00  0.00           H  
HETATM   86  H   UNK A   0       8.369  -3.733  -1.022  1.00  0.00           H  
HETATM   87  H   UNK A   0       8.245  -5.072   0.145  1.00  0.00           H  
HETATM   88  H   UNK A   0       7.314  -5.124  -1.371  1.00  0.00           H  
HETATM   89  H   UNK A   0       5.083  -0.474  -0.963  1.00  0.00           H  
HETATM   90  H   UNK A   0       3.136  -1.169  -0.670  1.00  0.00           H  
HETATM   91  H   UNK A   0       3.675   0.897  -1.932  1.00  0.00           H  
HETATM   92  H   UNK A   0       1.938   0.521  -2.033  1.00  0.00           H  
HETATM   93  H   UNK A   0       2.509   1.806  -0.941  1.00  0.00           H  
HETATM   94  H   UNK A   1       0.521  -1.024  -0.988  1.00  0.00           H  
HETATM   95  H   UNK A   1      -0.534  -1.100   1.734  1.00  0.00           H  
HETATM   96  H   UNK A   1      -2.401   0.450   1.223  1.00  0.00           H  
HETATM   97  H   UNK A   1      -0.830   1.279   1.102  1.00  0.00           H  
HETATM   98  H   UNK A   1      -1.690   0.780  -0.375  1.00  0.00           H  
HETATM   99  H   UNK A   2      -3.150  -1.654   1.401  1.00  0.00           H  
HETATM  100  H   UNK A   2      -3.576  -3.179  -1.053  1.00  0.00           H  
HETATM  101  H   UNK A   2      -3.757  -6.489   0.537  1.00  0.00           H  
HETATM  102  H   UNK A   2      -5.285  -2.780   1.442  1.00  0.00           H  
HETATM  103  H   UNK A   2      -5.802  -3.681  -0.003  1.00  0.00           H  
HETATM  104  H   UNK A   2      -5.470  -1.651  -1.387  1.00  0.00           H  
HETATM  105  H   UNK A   2      -4.953  -0.750   0.058  1.00  0.00           H  
HETATM  106  H   UNK A   2      -7.103   0.462  -1.023  1.00  0.00           H  
HETATM  107  H   UNK A   1      -9.228  -0.192   0.870  1.00  0.00           H  
HETATM  108  H   UNK A   2     -11.630   0.095  -0.316  1.00  0.00           H  
HETATM  109  H   UNK A   2     -11.673  -2.116  -2.223  1.00  0.00           H  
HETATM  110  H   UNK A   2     -11.308  -0.145  -3.683  1.00  0.00           H  
HETATM  111  H   UNK A   2     -12.933  -0.831  -3.928  1.00  0.00           H  
HETATM  112  H   UNK A   2     -12.728   0.651  -2.962  1.00  0.00           H  
HETATM  113  H   UNK A   2     -15.298  -2.158  -1.607  1.00  0.00           H  
HETATM  114  H   UNK A   1      -8.950   2.002  -1.231  1.00  0.00           H  
HETATM  115  H   UNK A   1     -10.312   1.858  -0.094  1.00  0.00           H  
HETATM  116  H   UNK A   1      -8.737   2.021   1.814  1.00  0.00           H  
HETATM  117  H   UNK A   1      -7.375   2.165   0.677  1.00  0.00           H  
HETATM  118  H   UNK A   1      -8.375   4.232  -0.260  1.00  0.00           H  
HETATM  119  H   UNK A   1      -9.737   4.088   0.877  1.00  0.00           H  
HETATM  120  H   UNK A   1      -8.098   4.188   2.778  1.00  0.00           H  
HETATM  121  H   UNK A   1      -9.522   7.458   2.368  1.00  0.00           H  
HETATM  122  H   UNK A   1      -6.271   3.427   1.446  1.00  0.00           H  
HETATM  123  H   UNK A   1      -6.253   4.817   0.615  1.00  0.00           H  
CONECT    1    2   65   66   67                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   68                                            
CONECT    5    4    6   14   69                                       
CONECT    6    5    7    8   70                                       
CONECT    7    6   71                                                 
CONECT    8    6    9   10   72                                       
CONECT    9    8   73                                                 
CONECT   10    8   11   13   74                                       
CONECT   11   10   12   75   76                                       
CONECT   12   11   77                                                 
CONECT   13   10   14                                                 
CONECT   14    5   13   15   78                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   27   79                                       
CONECT   17   16   18   19   80                                       
CONECT   18   17   21                                                 
CONECT   19   17   20   81   82                                       
CONECT   20   19   21                                                 
CONECT   21   18   20   22   83                                       
CONECT   22   21   23   27   84                                       
CONECT   23   22   24   85                                            
CONECT   24   23   25   26   26                                       
CONECT   25   24   86   87   88                                       
CONECT   26   24   24                                                 
CONECT   27   16   22   28   89                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   31   90                                       
CONECT   30   29   91   92   93                                       
CONECT   31   29   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   94                                            
CONECT   34   33   35   36   95                                       
CONECT   35   34   96   97   98                                       
CONECT   36   34   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   99                                            
CONECT   39   38   40   43  100                                       
CONECT   40   39   41   42   42                                       
CONECT   41   40  101                                                 
CONECT   42   40   40                                                 
CONECT   43   39   44  102  103                                       
CONECT   44   43   45  104  105                                       
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   48  106                                            
CONECT   48   47   49   57  107                                       
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52  108                                            
CONECT   52   51   53   54  109                                       
CONECT   53   52  110  111  112                                       
CONECT   54   52   55   55   56                                       
CONECT   55   54   54                                                 
CONECT   56   54  113                                                 
CONECT   57   48   58  114  115                                       
CONECT   58   57   59  116  117                                       
CONECT   59   58   60  118  119                                       
CONECT   60   59   61   64  120                                       
CONECT   61   60   62   62   63                                       
CONECT   62   61   61                                                 
CONECT   63   61  121                                                 
CONECT   64   60  122  123                                            
CONECT   65    1                                                      
CONECT   66    1                                                      
CONECT   67    1                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70    6                                                      
CONECT   71    7                                                      
CONECT   72    8                                                      
CONECT   73    9                                                      
CONECT   74   10                                                      
CONECT   75   11                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   14                                                      
CONECT   79   16                                                      
CONECT   80   17                                                      
CONECT   81   19                                                      
CONECT   82   19                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   23                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   25                                                      
CONECT   89   27                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   30                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   35                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   41                                                      
CONECT  102   43                                                      
CONECT  103   43                                                      
CONECT  104   44                                                      
CONECT  105   44                                                      
CONECT  106   47                                                      
CONECT  107   48                                                      
CONECT  108   51                                                      
CONECT  109   52                                                      
CONECT  110   53                                                      
CONECT  111   53                                                      
CONECT  112   53                                                      
CONECT  113   56                                                      
CONECT  114   57                                                      
CONECT  115   57                                                      
CONECT  116   58                                                      
CONECT  117   58                                                      
CONECT  118   59                                                      
CONECT  119   59                                                      
CONECT  120   60                                                      
CONECT  121   63                                                      
CONECT  122   64                                                      
CONECT  123   64                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
