COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.003  -0.623  -1.146  1.00  0.00           C  
HETATM    2  C   UNL     1       8.738  -1.094   0.112  1.00  0.00           C  
HETATM    3  C   UNL     1      10.240  -0.857  -0.056  1.00  0.00           C  
HETATM    4  C   UNL     1       8.230  -0.309   1.323  1.00  0.00           C  
HETATM    5  N   UNL     1       8.889  -0.804   2.539  1.00  0.00           N  
HETATM    6  C   UNL     1       9.047  -2.264   2.494  1.00  0.00           C  
HETATM    7  C   UNL     1      10.184  -0.140   2.743  1.00  0.00           C  
HETATM    8  C   UNL     1       6.739  -0.490   1.450  1.00  0.00           C  
HETATM    9  O   UNL     1       6.289  -1.227   2.301  1.00  0.00           O  
HETATM   10  N   UNL     1       5.907   0.167   0.618  1.00  0.00           N  
HETATM   11  C   UNL     1       4.457   0.041   0.782  1.00  0.00           C  
HETATM   12  C   UNL     1       3.972   1.048   1.827  1.00  0.00           C  
HETATM   13  C   UNL     1       2.474   0.851   2.069  1.00  0.00           C  
HETATM   14  C   UNL     1       4.733   0.831   3.136  1.00  0.00           C  
HETATM   15  C   UNL     1       3.776   0.315  -0.534  1.00  0.00           C  
HETATM   16  O   UNL     1       4.111   1.270  -1.202  1.00  0.00           O  
HETATM   17  N   UNL     1       2.796  -0.502  -0.969  1.00  0.00           N  
HETATM   18  C   UNL     1       2.464  -1.713  -0.215  1.00  0.00           C  
HETATM   19  C   UNL     1       2.064  -0.178  -2.196  1.00  0.00           C  
HETATM   20  C   UNL     1       2.364  -1.233  -3.262  1.00  0.00           C  
HETATM   21  C   UNL     1       3.872  -1.292  -3.511  1.00  0.00           C  
HETATM   22  C   UNL     1       1.646  -0.862  -4.562  1.00  0.00           C  
HETATM   23  C   UNL     1       1.815  -1.994  -5.578  1.00  0.00           C  
HETATM   24  C   UNL     1       0.562  -0.161  -1.903  1.00  0.00           C  
HETATM   25  O   UNL     1       0.155  -1.445  -1.427  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.501  -2.249  -2.410  1.00  0.00           C  
HETATM   27  C   UNL     1       0.261   0.896  -0.839  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.229   0.999  -0.640  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.977   0.296  -1.285  1.00  0.00           O  
HETATM   30  N   UNL     1      -1.730   1.872   0.256  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.940   2.783   1.103  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.850   3.084   2.320  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.250   3.149   1.653  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.157   2.079   0.545  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.878   2.565  -0.713  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.469   3.902  -1.010  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.409   4.195  -2.408  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.390   2.535  -0.479  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.739   3.428   0.713  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.825   1.121  -0.192  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.034   0.208  -0.304  1.00  0.00           O  
HETATM   42  N   UNL     1      -7.094   0.871   0.189  1.00  0.00           N  
HETATM   43  C   UNL     1      -7.517  -0.503   0.468  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.991  -0.510   0.877  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.427  -1.924   1.164  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.309  -2.437   2.442  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.709  -3.734   2.705  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.226  -4.517   1.690  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.345  -4.004   0.412  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.949  -2.705   0.150  1.00  0.00           C  
HETATM   51  H   UNL     1       8.430  -1.114  -2.020  1.00  0.00           H  
HETATM   52  H   UNL     1       6.947  -0.878  -1.066  1.00  0.00           H  
HETATM   53  H   UNL     1       8.111   0.457  -1.246  1.00  0.00           H  
HETATM   54  H   UNL     1       8.552  -2.157   0.264  1.00  0.00           H  
HETATM   55  H   UNL     1      10.781  -1.385   0.728  1.00  0.00           H  
HETATM   56  H   UNL     1      10.559  -1.227  -1.031  1.00  0.00           H  
HETATM   57  H   UNL     1      10.449   0.211   0.013  1.00  0.00           H  
HETATM   58  H   UNL     1       8.457   0.749   1.191  1.00  0.00           H  
HETATM   59  H   UNL     1       9.743  -2.530   1.699  1.00  0.00           H  
HETATM   60  H   UNL     1       9.435  -2.616   3.450  1.00  0.00           H  
HETATM   61  H   UNL     1       8.080  -2.728   2.301  1.00  0.00           H  
HETATM   62  H   UNL     1      10.021   0.919   2.945  1.00  0.00           H  
HETATM   63  H   UNL     1      10.696  -0.597   3.590  1.00  0.00           H  
HETATM   64  H   UNL     1      10.794  -0.250   1.847  1.00  0.00           H  
HETATM   65  H   UNL     1       6.268   0.724  -0.089  1.00  0.00           H  
HETATM   66  H   UNL     1       4.215  -0.970   1.113  1.00  0.00           H  
HETATM   67  H   UNL     1       4.152   2.061   1.466  1.00  0.00           H  
HETATM   68  H   UNL     1       2.301  -0.139   2.490  1.00  0.00           H  
HETATM   69  H   UNL     1       2.116   1.609   2.765  1.00  0.00           H  
HETATM   70  H   UNL     1       1.938   0.943   1.124  1.00  0.00           H  
HETATM   71  H   UNL     1       5.800   0.971   2.964  1.00  0.00           H  
HETATM   72  H   UNL     1       4.387   1.549   3.880  1.00  0.00           H  
HETATM   73  H   UNL     1       4.553  -0.182   3.497  1.00  0.00           H  
HETATM   74  H   UNL     1       1.703  -1.480   0.530  1.00  0.00           H  
HETATM   75  H   UNL     1       2.082  -2.473  -0.898  1.00  0.00           H  
HETATM   76  H   UNL     1       3.358  -2.088   0.283  1.00  0.00           H  
HETATM   77  H   UNL     1       2.375   0.802  -2.556  1.00  0.00           H  
HETATM   78  H   UNL     1       2.014  -2.207  -2.919  1.00  0.00           H  
HETATM   79  H   UNL     1       4.086  -2.043  -4.271  1.00  0.00           H  
HETATM   80  H   UNL     1       4.222  -0.318  -3.855  1.00  0.00           H  
HETATM   81  H   UNL     1       4.383  -1.556  -2.585  1.00  0.00           H  
HETATM   82  H   UNL     1       0.586  -0.710  -4.361  1.00  0.00           H  
HETATM   83  H   UNL     1       2.076   0.055  -4.965  1.00  0.00           H  
HETATM   84  H   UNL     1       1.386  -2.911  -5.175  1.00  0.00           H  
HETATM   85  H   UNL     1       1.304  -1.730  -6.504  1.00  0.00           H  
HETATM   86  H   UNL     1       2.876  -2.146  -5.779  1.00  0.00           H  
HETATM   87  H   UNL     1       0.017   0.077  -2.816  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.428  -1.764  -2.716  1.00  0.00           H  
HETATM   89  H   UNL     1       0.150  -2.367  -3.276  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.725  -3.229  -1.988  1.00  0.00           H  
HETATM   91  H   UNL     1       0.735   0.611   0.100  1.00  0.00           H  
HETATM   92  H   UNL     1       0.652   1.860  -1.164  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.020   2.297   1.428  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.713   3.703   0.563  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.803   2.277   3.052  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.590   4.039   2.776  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.031   2.898   2.371  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.425   4.133   1.220  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.603   1.147   0.894  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.627   1.914  -1.551  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.008   5.198  -2.552  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.763   3.471  -2.904  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.411   4.140  -2.833  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.903   2.900  -1.369  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.443   2.932   1.638  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.209   4.377   0.624  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.813   3.612   0.727  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.726   1.601   0.278  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.385  -1.113  -0.426  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.913  -0.912   1.278  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.123   0.099   1.771  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.595  -0.101   0.066  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.905  -1.825   3.234  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.616  -4.136   3.703  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.538  -5.531   1.896  1.00  0.00           H  
HETATM  116  H   UNL     1     -10.749  -4.616  -0.380  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.045  -2.303  -0.847  1.00  0.00           H  
CONECT    1    2   51   52   53                                       
CONECT    2    1    3    4   54                                       
CONECT    3    2   55   56   57                                       
CONECT    4    2    5    8   58                                       
CONECT    5    4    6    7                                            
CONECT    6    5   59   60   61                                       
CONECT    7    5   62   63   64                                       
CONECT    8    4    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   65                                            
CONECT   11   10   12   15   66                                       
CONECT   12   11   13   14   67                                       
CONECT   13   12   68   69   70                                       
CONECT   14   12   71   72   73                                       
CONECT   15   11   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   19                                            
CONECT   18   17   74   75   76                                       
CONECT   19   17   20   24   77                                       
CONECT   20   19   21   22   78                                       
CONECT   21   20   79   80   81                                       
CONECT   22   20   23   82   83                                       
CONECT   23   22   84   85   86                                       
CONECT   24   19   25   27   87                                       
CONECT   25   24   26                                                 
CONECT   26   25   88   89   90                                       
CONECT   27   24   28   91   92                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   34                                            
CONECT   31   30   32   93   94                                       
CONECT   32   31   33   95   96                                       
CONECT   33   32   34   97   98                                       
CONECT   34   30   33   35   99                                       
CONECT   35   34   36   38  100                                       
CONECT   36   35   37                                                 
CONECT   37   36  101  102  103                                       
CONECT   38   35   39   40  104                                       
CONECT   39   38  105  106  107                                       
CONECT   40   38   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   43  108                                            
CONECT   43   42   44  109  110                                       
CONECT   44   43   45  111  112                                       
CONECT   45   44   46   46   50                                       
CONECT   46   45   45   47  113                                       
CONECT   47   46   48   48  114                                       
CONECT   48   47   47   49  115                                       
CONECT   49   48   50   50  116                                       
CONECT   50   45   49   49  117                                       
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   26                                                      
CONECT   89   26                                                      
CONECT   90   26                                                      
CONECT   91   27                                                      
CONECT   92   27                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   32                                                      
CONECT   97   33                                                      
CONECT   98   33                                                      
CONECT   99   34                                                      
CONECT  100   35                                                      
CONECT  101   37                                                      
CONECT  102   37                                                      
CONECT  103   37                                                      
CONECT  104   38                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   39                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   43                                                      
CONECT  111   44                                                      
CONECT  112   44                                                      
CONECT  113   46                                                      
CONECT  114   47                                                      
CONECT  115   48                                                      
CONECT  116   49                                                      
CONECT  117   50                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
