COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.579   2.064  -0.906  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.463   0.840  -0.656  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.935  -4.087   3.615  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.215   2.712   0.431  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.920  -3.545   1.439  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.277  -4.637   2.297  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.328   1.633  -2.933  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.069   1.207  -3.644  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.291   1.272  -5.156  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.014   0.839  -5.878  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.236   0.904  -7.390  1.00  0.00           C  
HETATM   12  C   UNL     1       1.041   0.472  -8.112  1.00  0.00           C  
HETATM   13  C   UNL     1       0.819   0.536  -9.625  1.00  0.00           C  
HETATM   14  C   UNL     1       2.097   0.104 -10.347  1.00  0.00           C  
HETATM   15  C   UNL     1       1.875   0.169 -11.859  1.00  0.00           C  
HETATM   16  C   UNL     1       3.153  -0.263 -12.581  1.00  0.00           C  
HETATM   17  C   UNL     1       2.931  -0.198 -14.094  1.00  0.00           C  
HETATM   18  C   UNL     1       4.209  -0.630 -14.816  1.00  0.00           C  
HETATM   19  C   UNL     1       3.987  -0.566 -16.328  1.00  0.00           C  
HETATM   20  C   UNL     1       5.265  -0.998 -17.050  1.00  0.00           C  
HETATM   21  C   UNL     1       5.043  -0.933 -18.562  1.00  0.00           C  
HETATM   22  C   UNL     1       6.320  -1.366 -19.284  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.073   2.104   2.477  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.326   1.111   3.329  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.962   1.758   4.667  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.204   0.749   5.532  1.00  0.00           C  
HETATM   27  C   UNL     1       0.159   1.396   6.870  1.00  0.00           C  
HETATM   28  C   UNL     1       0.917   0.388   7.735  1.00  0.00           C  
HETATM   29  C   UNL     1       1.281   1.035   9.072  1.00  0.00           C  
HETATM   30  C   UNL     1       2.039   0.026   9.937  1.00  0.00           C  
HETATM   31  C   UNL     1       2.404   0.673  11.275  1.00  0.00           C  
HETATM   32  C   UNL     1       3.162  -0.335  12.140  1.00  0.00           C  
HETATM   33  C   UNL     1       3.526   0.312  13.478  1.00  0.00           C  
HETATM   34  C   UNL     1       4.284  -0.696  14.343  1.00  0.00           C  
HETATM   35  C   UNL     1       4.648  -0.049  15.681  1.00  0.00           C  
HETATM   36  C   UNL     1       5.406  -1.058  16.546  1.00  0.00           C  
HETATM   37  C   UNL     1       5.770  -0.410  17.883  1.00  0.00           C  
HETATM   38  C   UNL     1       6.529  -1.419  18.749  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.303   1.955  -3.570  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.292   3.216   2.897  1.00  0.00           O  
HETATM   41  O   UNL     1      -2.366   1.654  -1.591  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.496   1.754   1.252  1.00  0.00           O  
HETATM   43  O   UNL     1      -5.972  -0.902   1.053  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.118  -1.998  -1.054  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.755  -0.101   0.151  1.00  0.00           O  
HETATM   46  O   UNL     1      -4.001  -2.463   1.279  1.00  0.00           O  
HETATM   47  P   UNL     1      -4.738  -1.356   0.372  1.00  0.00           P  
HETATM   48  H   UNL     1      -4.119   2.783  -1.522  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.373   1.148  -0.142  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.722   0.379  -1.609  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.516  -4.838   4.143  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.211  -3.400   3.464  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.125   3.020   0.945  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.585   3.583   0.253  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.824  -3.185   1.928  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.173  -3.954   0.461  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.978  -5.463   2.419  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.372  -4.998   1.808  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.253   1.874  -3.367  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.818   0.186  -3.357  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.108   0.605  -5.432  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.543   2.292  -5.443  1.00  0.00           H  
HETATM   63  H   UNL     1       0.802   1.506  -5.602  1.00  0.00           H  
HETATM   64  H   UNL     1       0.237  -0.181  -5.591  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.052   0.237  -7.667  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.487   1.925  -7.677  1.00  0.00           H  
HETATM   67  H   UNL     1       1.858   1.139  -7.836  1.00  0.00           H  
HETATM   68  H   UNL     1       1.293  -0.548  -7.825  1.00  0.00           H  
HETATM   69  H   UNL     1       0.003  -0.130  -9.901  1.00  0.00           H  
HETATM   70  H   UNL     1       0.567   1.557  -9.912  1.00  0.00           H  
HETATM   71  H   UNL     1       2.914   0.771 -10.071  1.00  0.00           H  
HETATM   72  H   UNL     1       2.349  -0.916 -10.060  1.00  0.00           H  
HETATM   73  H   UNL     1       1.058  -0.497 -12.135  1.00  0.00           H  
HETATM   74  H   UNL     1       1.623   1.190 -12.146  1.00  0.00           H  
HETATM   75  H   UNL     1       3.970   0.403 -12.305  1.00  0.00           H  
HETATM   76  H   UNL     1       3.405  -1.284 -12.294  1.00  0.00           H  
HETATM   77  H   UNL     1       2.114  -0.865 -14.370  1.00  0.00           H  
HETATM   78  H   UNL     1       2.679   0.822 -14.381  1.00  0.00           H  
HETATM   79  H   UNL     1       5.025   0.036 -14.539  1.00  0.00           H  
HETATM   80  H   UNL     1       4.460  -1.651 -14.529  1.00  0.00           H  
HETATM   81  H   UNL     1       3.170  -1.233 -16.604  1.00  0.00           H  
HETATM   82  H   UNL     1       3.735   0.454 -16.615  1.00  0.00           H  
HETATM   83  H   UNL     1       6.081  -0.331 -16.774  1.00  0.00           H  
HETATM   84  H   UNL     1       5.516  -2.019 -16.763  1.00  0.00           H  
HETATM   85  H   UNL     1       4.226  -1.600 -18.839  1.00  0.00           H  
HETATM   86  H   UNL     1       4.791   0.087 -18.849  1.00  0.00           H  
HETATM   87  H   UNL     1       6.162  -1.320 -20.362  1.00  0.00           H  
HETATM   88  H   UNL     1       7.137  -0.699 -19.008  1.00  0.00           H  
HETATM   89  H   UNL     1       6.572  -2.387 -18.997  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.416   0.803   2.815  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.956   0.239   3.507  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.873   2.066   5.181  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.333   2.630   4.489  1.00  0.00           H  
HETATM   94  H   UNL     1       0.705   0.441   5.018  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.834  -0.122   5.710  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.750   1.704   7.384  1.00  0.00           H  
HETATM   97  H   UNL     1       0.789   2.268   6.692  1.00  0.00           H  
HETATM   98  H   UNL     1       1.828   0.080   7.220  1.00  0.00           H  
HETATM   99  H   UNL     1       0.288  -0.483   7.912  1.00  0.00           H  
HETATM  100  H   UNL     1       0.371   1.343   9.587  1.00  0.00           H  
HETATM  101  H   UNL     1       1.911   1.907   8.895  1.00  0.00           H  
HETATM  102  H   UNL     1       2.950  -0.281   9.423  1.00  0.00           H  
HETATM  103  H   UNL     1       1.410  -0.845  10.115  1.00  0.00           H  
HETATM  104  H   UNL     1       1.493   0.981  11.790  1.00  0.00           H  
HETATM  105  H   UNL     1       3.033   1.545  11.098  1.00  0.00           H  
HETATM  106  H   UNL     1       4.072  -0.643  11.626  1.00  0.00           H  
HETATM  107  H   UNL     1       2.532  -1.206  12.318  1.00  0.00           H  
HETATM  108  H   UNL     1       2.615   0.620  13.992  1.00  0.00           H  
HETATM  109  H   UNL     1       4.155   1.184  13.300  1.00  0.00           H  
HETATM  110  H   UNL     1       5.194  -1.004  13.829  1.00  0.00           H  
HETATM  111  H   UNL     1       3.654  -1.568  14.521  1.00  0.00           H  
HETATM  112  H   UNL     1       3.738   0.258  16.195  1.00  0.00           H  
HETATM  113  H   UNL     1       5.278   0.822  15.503  1.00  0.00           H  
HETATM  114  H   UNL     1       6.317  -1.366  16.031  1.00  0.00           H  
HETATM  115  H   UNL     1       4.777  -1.930  16.723  1.00  0.00           H  
HETATM  116  H   UNL     1       4.860  -0.102  18.398  1.00  0.00           H  
HETATM  117  H   UNL     1       6.400   0.461  17.706  1.00  0.00           H  
HETATM  118  H   UNL     1       6.788  -0.958  19.702  1.00  0.00           H  
HETATM  119  H   UNL     1       5.899  -2.291  18.926  1.00  0.00           H  
HETATM  120  H   UNL     1       7.439  -1.727  18.234  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.289  -2.280  -1.463  1.00  0.00           H  
CONECT    1    2    4   41   48                                       
CONECT    2    1   45   49   50                                       
CONECT    3    6   51   52                                            
CONECT    4    1   42   53   54                                       
CONECT    5    6   46   55   56                                       
CONECT    6    3    5   57   58                                       
CONECT    7    8   39   39   41                                       
CONECT    8    7    9   59   60                                       
CONECT    9    8   10   61   62                                       
CONECT   10    9   11   63   64                                       
CONECT   11   10   12   65   66                                       
CONECT   12   11   13   67   68                                       
CONECT   13   12   14   69   70                                       
CONECT   14   13   15   71   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   18   20   81   82                                       
CONECT   20   19   21   83   84                                       
CONECT   21   20   22   85   86                                       
CONECT   22   21   87   88   89                                       
CONECT   23   24   40   40   42                                       
CONECT   24   23   25   90   91                                       
CONECT   25   24   26   92   93                                       
CONECT   26   25   27   94   95                                       
CONECT   27   26   28   96   97                                       
CONECT   28   27   29   98   99                                       
CONECT   29   28   30  100  101                                       
CONECT   30   29   31  102  103                                       
CONECT   31   30   32  104  105                                       
CONECT   32   31   33  106  107                                       
CONECT   33   32   34  108  109                                       
CONECT   34   33   35  110  111                                       
CONECT   35   34   36  112  113                                       
CONECT   36   35   37  114  115                                       
CONECT   37   36   38  116  117                                       
CONECT   38   37  118  119  120                                       
CONECT   39    7    7                                                 
CONECT   40   23   23                                                 
CONECT   41    1    7                                                 
CONECT   42    4   23                                                 
CONECT   43   47   47                                                 
CONECT   44   47  121                                                 
CONECT   45    2   47                                                 
CONECT   46    5   47                                                 
CONECT   47   43   43   44   45                                       
CONECT   47   46                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
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   20                                                      
CONECT   85   21                                                      
CONECT   86   21                                                      
CONECT   87   22                                                      
CONECT   88   22                                                      
CONECT   89   22                                                      
CONECT   90   24                                                      
CONECT   91   24                                                      
CONECT   92   25                                                      
CONECT   93   25                                                      
CONECT   94   26                                                      
CONECT   95   26                                                      
CONECT   96   27                                                      
CONECT   97   27                                                      
CONECT   98   28                                                      
CONECT   99   28                                                      
CONECT  100   29                                                      
CONECT  101   29                                                      
CONECT  102   30                                                      
CONECT  103   30                                                      
CONECT  104   31                                                      
CONECT  105   31                                                      
CONECT  106   32                                                      
CONECT  107   32                                                      
CONECT  108   33                                                      
CONECT  109   33                                                      
CONECT  110   34                                                      
CONECT  111   34                                                      
CONECT  112   35                                                      
CONECT  113   35                                                      
CONECT  114   36                                                      
CONECT  115   36                                                      
CONECT  116   37                                                      
CONECT  117   37                                                      
CONECT  118   38                                                      
CONECT  119   38                                                      
CONECT  120   38                                                      
CONECT  121   44                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
