COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.198  -1.918  -1.978  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.479  -2.703  -1.691  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.120  -4.063  -1.088  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.338  -4.860  -0.923  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.263  -6.128  -0.396  1.00  0.00           C  
HETATM    6  N   UNL     1      -8.347  -6.838  -0.249  1.00  0.00           N  
HETATM    7  N   UNL     1      -6.046  -6.647  -0.023  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.345  -1.920  -0.702  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.704  -0.560  -1.304  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.423   0.225  -1.592  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.660   0.429  -0.309  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.098  -0.009   0.734  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.556  -0.559  -2.581  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.480   3.774   0.594  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.419   4.868   1.109  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.454   6.023   0.106  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.045   6.597  -0.060  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.107   5.504  -0.575  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.072   4.348   0.428  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.490   1.099  -0.319  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.804   1.394   0.941  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.445   2.619   1.597  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.349   1.675   0.667  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.931   1.650  -0.472  1.00  0.00           O  
HETATM   25  N   UNL     1      -1.513   1.955   1.686  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.084   2.272   1.826  1.00  0.00           C  
HETATM   27  C   UNL     1       0.800   1.489   0.890  1.00  0.00           C  
HETATM   28  O   UNL     1       0.310   0.689   0.121  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.148   1.684   3.243  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.629   2.084   3.146  1.00  0.00           C  
HETATM   31  N   UNL     1       2.135   1.676   0.908  1.00  0.00           N  
HETATM   32  C   UNL     1       2.993   0.915  -0.002  1.00  0.00           C  
HETATM   33  C   UNL     1       4.269   1.679  -0.246  1.00  0.00           C  
HETATM   34  O   UNL     1       4.444   2.754   0.288  1.00  0.00           O  
HETATM   35  C   UNL     1       3.323  -0.442   0.624  1.00  0.00           C  
HETATM   36  C   UNL     1       2.061  -1.255   0.755  1.00  0.00           C  
HETATM   37  C   UNL     1       1.666  -2.086  -0.276  1.00  0.00           C  
HETATM   38  C   UNL     1       1.304  -1.172   1.909  1.00  0.00           C  
HETATM   39  C   UNL     1       0.509  -2.832  -0.159  1.00  0.00           C  
HETATM   40  C   UNL     1       0.143  -1.912   2.029  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.256  -2.747   0.996  1.00  0.00           C  
HETATM   42  O   UNL     1      -1.394  -3.480   1.114  1.00  0.00           O  
HETATM   43  N   UNL     1       5.216   1.167  -1.057  1.00  0.00           N  
HETATM   44  C   UNL     1       6.457   1.910  -1.295  1.00  0.00           C  
HETATM   45  C   UNL     1       7.568   0.935  -1.687  1.00  0.00           C  
HETATM   46  C   UNL     1       8.983  -0.969  -0.901  1.00  0.00           C  
HETATM   47  C   UNL     1       7.871   0.007  -0.509  1.00  0.00           C  
HETATM   48  C   UNL     1       9.286  -1.897   0.277  1.00  0.00           C  
HETATM   49  N   UNL     1      10.351  -2.831  -0.099  1.00  0.00           N  
HETATM   50  C   UNL     1      10.794  -3.767   0.805  1.00  0.00           C  
HETATM   51  N   UNL     1      10.268  -3.823   1.997  1.00  0.00           N  
HETATM   52  N   UNL     1      11.793  -4.643   0.453  1.00  0.00           N  
HETATM   53  C   UNL     1       6.242   2.902  -2.409  1.00  0.00           C  
HETATM   54  O   UNL     1       5.161   2.981  -2.951  1.00  0.00           O  
HETATM   55  N   UNL     1       7.253   3.702  -2.802  1.00  0.00           N  
HETATM   56  H   UNL     1      -4.646  -1.770  -1.050  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.581  -2.476  -2.683  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.031  -2.851  -2.619  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.432  -4.584  -1.753  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.648  -3.917  -0.117  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.197  -4.494  -1.186  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.294  -7.732   0.123  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.240  -6.119  -0.133  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.993  -7.541   0.348  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.258  -2.479  -0.497  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.794  -1.772   0.227  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.256  -0.708  -2.233  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.321  -0.002  -0.600  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.678   1.193  -2.021  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.643   0.000  -2.786  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.108  -0.707  -3.509  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.840   3.410  -0.368  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.422   4.459   1.227  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.059   5.232   2.071  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.813   5.659  -0.856  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.122   6.802   0.473  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.070   7.420  -0.774  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.685   6.961   0.902  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.466   5.139  -1.537  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.103   5.912  -0.693  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.712   4.713   1.390  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.403   3.569   0.061  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.104   1.387  -1.161  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.889   0.538   1.610  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.461   2.375   1.906  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.860   2.912   2.469  1.00  0.00           H  
HETATM   87  H   UNL     1       0.127   3.342   1.809  1.00  0.00           H  
HETATM   88  H   UNL     1       0.026   0.609   3.288  1.00  0.00           H  
HETATM   89  H   UNL     1       0.417   2.246   3.986  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.826   3.104   3.478  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.307   1.357   3.593  1.00  0.00           H  
HETATM   92  H   UNL     1       2.526   2.316   1.523  1.00  0.00           H  
HETATM   93  H   UNL     1       2.475   0.762  -0.948  1.00  0.00           H  
HETATM   94  H   UNL     1       4.033  -0.972  -0.011  1.00  0.00           H  
HETATM   95  H   UNL     1       3.762  -0.290   1.610  1.00  0.00           H  
HETATM   96  H   UNL     1       2.261  -2.153  -1.175  1.00  0.00           H  
HETATM   97  H   UNL     1       1.617  -0.526   2.715  1.00  0.00           H  
HETATM   98  H   UNL     1       0.200  -3.481  -0.965  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.451  -1.844   2.929  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.260  -4.355   1.504  1.00  0.00           H  
HETATM  101  H   UNL     1       5.077   0.308  -1.484  1.00  0.00           H  
HETATM  102  H   UNL     1       6.742   2.440  -0.386  1.00  0.00           H  
HETATM  103  H   UNL     1       7.246   0.342  -2.543  1.00  0.00           H  
HETATM  104  H   UNL     1       8.466   1.494  -1.949  1.00  0.00           H  
HETATM  105  H   UNL     1       8.661  -1.561  -1.757  1.00  0.00           H  
HETATM  106  H   UNL     1       9.881  -0.410  -1.164  1.00  0.00           H  
HETATM  107  H   UNL     1       8.193   0.600   0.347  1.00  0.00           H  
HETATM  108  H   UNL     1       6.973  -0.552  -0.246  1.00  0.00           H  
HETATM  109  H   UNL     1       9.608  -1.304   1.133  1.00  0.00           H  
HETATM  110  H   UNL     1       8.388  -2.456   0.539  1.00  0.00           H  
HETATM  111  H   UNL     1      10.742  -2.789  -0.985  1.00  0.00           H  
HETATM  112  H   UNL     1      10.581  -4.483   2.634  1.00  0.00           H  
HETATM  113  H   UNL     1      12.185  -4.601  -0.433  1.00  0.00           H  
HETATM  114  H   UNL     1      12.106  -5.303   1.091  1.00  0.00           H  
HETATM  115  H   UNL     1       8.119   3.639  -2.368  1.00  0.00           H  
HETATM  116  H   UNL     1       7.116   4.340  -3.519  1.00  0.00           H  
CONECT    1    2   13   56   57                                       
CONECT    2    1    3    8   58                                       
CONECT    3    2    4   59   60                                       
CONECT    4    3    5   61                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5   62                                            
CONECT    7    5   63   64                                            
CONECT    8    2    9   65   66                                       
CONECT    9    8   10   67   68                                       
CONECT   10    9   11   13   69                                       
CONECT   11   10   20   12   12                                       
CONECT   12   11   11                                                 
CONECT   13    1   10   70   71                                       
CONECT   14   22   15   19   72                                       
CONECT   15   14   16   73   74                                       
CONECT   16   15   17   75   76                                       
CONECT   17   16   18   77   78                                       
CONECT   18   17   19   79   80                                       
CONECT   19   14   18   81   82                                       
CONECT   20   11   21   83                                            
CONECT   21   20   23   22   84                                       
CONECT   22   21   14   85   86                                       
CONECT   23   21   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   30                                            
CONECT   26   25   27   29   87                                       
CONECT   27   26   31   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   26   30   88   89                                       
CONECT   30   25   29   90   91                                       
CONECT   31   27   32   92                                            
CONECT   32   31   33   35   93                                       
CONECT   33   32   43   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   32   36   94   95                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36   39   96                                       
CONECT   38   36   40   40   97                                       
CONECT   39   37   41   41   98                                       
CONECT   40   41   38   38   99                                       
CONECT   41   39   39   42   40                                       
CONECT   42   41  100                                                 
CONECT   43   33   44  101                                            
CONECT   44   43   45   53  102                                       
CONECT   45   44   47  103  104                                       
CONECT   46   47   48  105  106                                       
CONECT   47   45   46  107  108                                       
CONECT   48   46   49  109  110                                       
CONECT   49   48   50  111                                            
CONECT   50   49   51   51   52                                       
CONECT   51   50   50  112                                            
CONECT   52   50  113  114                                            
CONECT   53   44   55   54   54                                       
CONECT   54   53   53                                                 
CONECT   55   53  115  116                                            
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   17                                                      
CONECT   78   17                                                      
CONECT   79   18                                                      
CONECT   80   18                                                      
CONECT   81   19                                                      
CONECT   82   19                                                      
CONECT   83   20                                                      
CONECT   84   21                                                      
CONECT   85   22                                                      
CONECT   86   22                                                      
CONECT   87   26                                                      
CONECT   88   29                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   31                                                      
CONECT   93   32                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   37                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   40                                                      
CONECT  100   42                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   45                                                      
CONECT  105   46                                                      
CONECT  106   46                                                      
CONECT  107   47                                                      
CONECT  108   47                                                      
CONECT  109   48                                                      
CONECT  110   48                                                      
CONECT  111   49                                                      
CONECT  112   51                                                      
CONECT  113   52                                                      
CONECT  114   52                                                      
CONECT  115   55                                                      
CONECT  116   55                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
