COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.077   1.288  -0.813  1.00  0.00           C  
HETATM    2  O   UNL     1      10.309   2.227  -0.825  1.00  0.00           O  
HETATM    3  C   UNL     1      12.313   1.315  -1.676  1.00  0.00           C  
HETATM    4  N   UNL     1      10.830   0.224  -0.024  1.00  0.00           N  
HETATM    5  C   UNL     1       9.632   0.201   0.819  1.00  0.00           C  
HETATM    6  C   UNL     1       8.404   0.304  -0.049  1.00  0.00           C  
HETATM    7  O   UNL     1       8.493   0.745  -1.175  1.00  0.00           O  
HETATM    8  C   UNL     1       9.670   1.382   1.792  1.00  0.00           C  
HETATM    9  C   UNL     1      10.875   1.237   2.723  1.00  0.00           C  
HETATM   10  C   UNL     1      10.998   2.486   3.597  1.00  0.00           C  
HETATM   11  C   UNL     1      10.686   0.007   3.614  1.00  0.00           C  
HETATM   12  N   UNL     1       7.207  -0.092   0.427  1.00  0.00           N  
HETATM   13  C   UNL     1       6.014   0.008  -0.417  1.00  0.00           C  
HETATM   14  C   UNL     1       4.789   0.108   0.456  1.00  0.00           C  
HETATM   15  O   UNL     1       4.902   0.096   1.663  1.00  0.00           O  
HETATM   16  C   UNL     1       5.909  -1.235  -1.303  1.00  0.00           C  
HETATM   17  C   UNL     1       7.090  -1.269  -2.274  1.00  0.00           C  
HETATM   18  C   UNL     1       6.988  -2.494  -3.147  1.00  0.00           C  
HETATM   19  O   UNL     1       6.064  -3.260  -3.006  1.00  0.00           O  
HETATM   20  O   UNL     1       7.922  -2.733  -4.081  1.00  0.00           O  
HETATM   21  N   UNL     1       3.568   0.210  -0.106  1.00  0.00           N  
HETATM   22  C   UNL     1       2.377   0.307   0.742  1.00  0.00           C  
HETATM   23  C   UNL     1       1.177  -0.194  -0.019  1.00  0.00           C  
HETATM   24  O   UNL     1       1.304  -0.593  -1.157  1.00  0.00           O  
HETATM   25  C   UNL     1       2.154   1.767   1.142  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.037  -0.199   0.566  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.204  -0.687  -0.174  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.453  -0.057   0.387  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.376   0.722   1.313  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.295  -2.208  -0.038  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.086  -2.854  -0.719  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.111  -4.364  -0.476  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.140  -2.578  -2.222  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.656  -0.360  -0.141  1.00  0.00           N  
HETATM   35  C   UNL     1      -4.870   0.252   0.405  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.053  -0.638   0.120  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.897  -1.681  -0.479  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.091   1.617  -0.249  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.969   2.546   0.136  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.829   2.615  -0.644  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.081   3.334   1.267  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.800   3.467  -0.290  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.051   4.186   1.620  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.910   4.251   0.843  1.00  0.00           C  
HETATM   45  N   UNL     1      -7.284  -0.275   0.532  1.00  0.00           N  
HETATM   46  C   UNL     1      -8.433  -1.140   0.256  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.543  -2.207   1.347  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.321  -3.126   1.287  1.00  0.00           C  
HETATM   49  C   UNL     1      -7.429  -4.176   2.362  1.00  0.00           C  
HETATM   50  O   UNL     1      -8.388  -4.189   3.104  1.00  0.00           O  
HETATM   51  N   UNL     1      -6.458  -5.102   2.500  1.00  0.00           N  
HETATM   52  C   UNL     1      -9.711  -0.299   0.234  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.655   0.684  -0.936  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.913   1.513  -0.957  1.00  0.00           C  
HETATM   55  O   UNL     1     -11.768   1.334  -0.122  1.00  0.00           O  
HETATM   56  O   UNL     1     -11.085   2.449  -1.904  1.00  0.00           O  
HETATM   57  C   UNL     1     -12.322   3.209  -1.863  1.00  0.00           C  
HETATM   58  C   UNL     1     -12.337   4.220  -3.011  1.00  0.00           C  
HETATM   59  H   UNL     1      12.345   2.250  -2.235  1.00  0.00           H  
HETATM   60  H   UNL     1      13.198   1.238  -1.045  1.00  0.00           H  
HETATM   61  H   UNL     1      12.288   0.476  -2.372  1.00  0.00           H  
HETATM   62  H   UNL     1      11.444  -0.526  -0.014  1.00  0.00           H  
HETATM   63  H   UNL     1       9.601  -0.732   1.382  1.00  0.00           H  
HETATM   64  H   UNL     1       9.754   2.312   1.230  1.00  0.00           H  
HETATM   65  H   UNL     1       8.754   1.395   2.383  1.00  0.00           H  
HETATM   66  H   UNL     1      11.781   1.119   2.129  1.00  0.00           H  
HETATM   67  H   UNL     1      11.835   2.368   4.285  1.00  0.00           H  
HETATM   68  H   UNL     1      11.167   3.357   2.964  1.00  0.00           H  
HETATM   69  H   UNL     1      10.077   2.624   4.165  1.00  0.00           H  
HETATM   70  H   UNL     1      10.599  -0.883   2.991  1.00  0.00           H  
HETATM   71  H   UNL     1      11.545  -0.096   4.277  1.00  0.00           H  
HETATM   72  H   UNL     1       9.780   0.125   4.208  1.00  0.00           H  
HETATM   73  H   UNL     1       7.136  -0.444   1.328  1.00  0.00           H  
HETATM   74  H   UNL     1       6.086   0.897  -1.044  1.00  0.00           H  
HETATM   75  H   UNL     1       5.926  -2.128  -0.678  1.00  0.00           H  
HETATM   76  H   UNL     1       4.976  -1.202  -1.865  1.00  0.00           H  
HETATM   77  H   UNL     1       7.074  -0.376  -2.899  1.00  0.00           H  
HETATM   78  H   UNL     1       8.023  -1.302  -1.712  1.00  0.00           H  
HETATM   79  H   UNL     1       7.813  -3.531  -4.616  1.00  0.00           H  
HETATM   80  H   UNL     1       3.478   0.220  -1.072  1.00  0.00           H  
HETATM   81  H   UNL     1       2.519  -0.298   1.637  1.00  0.00           H  
HETATM   82  H   UNL     1       1.268   1.839   1.773  1.00  0.00           H  
HETATM   83  H   UNL     1       3.022   2.130   1.692  1.00  0.00           H  
HETATM   84  H   UNL     1       2.013   2.372   0.247  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.139   0.120   1.476  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.105  -0.421  -1.226  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.305  -2.479   1.018  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.211  -2.561  -0.513  1.00  0.00           H  
HETATM   89  H   UNL     1       0.831  -2.434  -0.304  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.028  -4.784  -0.890  1.00  0.00           H  
HETATM   91  H   UNL     1       0.750  -4.824  -0.961  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.073  -4.561   0.595  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.122  -1.501  -2.395  1.00  0.00           H  
HETATM   94  H   UNL     1       0.722  -3.037  -2.707  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.056  -2.997  -2.636  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.718  -0.983  -0.881  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.761   0.378   1.482  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.111   1.502  -1.333  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.040   2.034   0.090  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.744   2.003  -1.530  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.973   3.284   1.873  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.910   3.520  -0.899  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.139   4.801   2.503  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.105   4.916   1.120  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.409   0.559   1.011  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.300  -1.624  -0.712  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.587  -1.724   2.324  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.447  -2.795   1.191  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.277  -3.608   0.311  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.416  -2.538   1.443  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.691  -5.091   1.907  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.528  -5.778   3.192  1.00  0.00           H  
HETATM  113  H   UNL     1     -10.575  -0.954   0.117  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.798   0.253   1.170  1.00  0.00           H  
HETATM  115  H   UNL     1      -8.791   1.339  -0.819  1.00  0.00           H  
HETATM  116  H   UNL     1      -9.568   0.132  -1.872  1.00  0.00           H  
HETATM  117  H   UNL     1     -13.169   2.530  -1.965  1.00  0.00           H  
HETATM  118  H   UNL     1     -12.392   3.737  -0.912  1.00  0.00           H  
HETATM  119  H   UNL     1     -12.267   3.691  -3.962  1.00  0.00           H  
HETATM  120  H   UNL     1     -13.266   4.790  -2.980  1.00  0.00           H  
HETATM  121  H   UNL     1     -11.490   4.898  -2.909  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   59   60   61                                       
CONECT    4    5   62    1                                            
CONECT    5    4    6    8   63                                       
CONECT    6    5    7    7   12                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   64   65                                       
CONECT    9    8   10   11   66                                       
CONECT   10    9   67   68   69                                       
CONECT   11    9   70   71   72                                       
CONECT   12   13   73    6                                            
CONECT   13   12   14   16   74                                       
CONECT   14   13   15   15   21                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   75   76                                       
CONECT   17   16   18   77   78                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   79                                                 
CONECT   21   22   80   14                                            
CONECT   22   21   23   25   81                                       
CONECT   23   22   24   24   26                                       
CONECT   24   23   23                                                 
CONECT   25   22   82   83   84                                       
CONECT   26   27   85   23                                            
CONECT   27   26   28   30   86                                       
CONECT   28   27   29   29   34                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   87   88                                       
CONECT   31   30   32   33   89                                       
CONECT   32   31   90   91   92                                       
CONECT   33   31   93   94   95                                       
CONECT   34   35   96   28                                            
CONECT   35   34   36   38   97                                       
CONECT   36   35   37   37   45                                       
CONECT   37   36   36                                                 
CONECT   38   35   39   98   99                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39   42  100                                       
CONECT   41   39   43   43  101                                       
CONECT   42   40   44   44  102                                       
CONECT   43   41   41   44  103                                       
CONECT   44   42   42   43  104                                       
CONECT   45   46  105   36                                            
CONECT   46   45   47  106   52                                       
CONECT   47   46   48  107  108                                       
CONECT   48   47   49  109  110                                       
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49  111  112                                            
CONECT   52   53  113  114   46                                       
CONECT   53   52   54  115  116                                       
CONECT   54   53   55   55   56                                       
CONECT   55   54   54                                                 
CONECT   56   54   57                                                 
CONECT   57   56   58  117  118                                       
CONECT   58   57  119  120  121                                       
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   17                                                      
CONECT   78   17                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   22                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   35                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   43                                                      
CONECT  104   44                                                      
CONECT  105   45                                                      
CONECT  106   46                                                      
CONECT  107   47                                                      
CONECT  108   47                                                      
CONECT  109   48                                                      
CONECT  110   48                                                      
CONECT  111   51                                                      
CONECT  112   51                                                      
CONECT  113   52                                                      
CONECT  114   52                                                      
CONECT  115   53                                                      
CONECT  116   53                                                      
CONECT  117   57                                                      
CONECT  118   57                                                      
CONECT  119   58                                                      
CONECT  120   58                                                      
CONECT  121   58                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
