COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -15.420  -1.139  -0.778  1.00  0.00           C  
HETATM    2  C   UNL     1     -16.688  -1.156   0.078  1.00  0.00           C  
HETATM    3  C   UNL     1     -16.719  -2.434   0.918  1.00  0.00           C  
HETATM    4  C   UNL     1     -15.488  -2.477   1.827  1.00  0.00           C  
HETATM    5  C   UNL     1     -14.221  -2.460   0.970  1.00  0.00           C  
HETATM    6  C   UNL     1     -14.190  -1.182   0.130  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.835  -0.622   0.062  1.00  0.00           C  
HETATM    8  N   UNL     1     -12.973  -1.165  -0.692  1.00  0.00           N  
HETATM    9  C   UNL     1     -10.589  -0.621  -0.826  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.404  -0.056  -0.040  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.158  -0.055  -0.928  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.973   0.511  -0.142  1.00  0.00           C  
HETATM   13  O   UNL     1     -16.713  -3.572   0.054  1.00  0.00           O  
HETATM   14  O   UNL     1     -15.495  -1.339   2.691  1.00  0.00           O  
HETATM   15  O   UNL     1     -16.694  -0.018   0.942  1.00  0.00           O  
HETATM   16  O   UNL     1     -15.391   0.055  -1.563  1.00  0.00           O  
HETATM   17  H   UNL     1     -15.415  -2.007  -1.438  1.00  0.00           H  
HETATM   18  H   UNL     1     -17.564  -1.125  -0.569  1.00  0.00           H  
HETATM   19  H   UNL     1     -17.622  -2.446   1.528  1.00  0.00           H  
HETATM   20  H   UNL     1     -15.510  -3.388   2.425  1.00  0.00           H  
HETATM   21  H   UNL     1     -13.344  -2.491   1.618  1.00  0.00           H  
HETATM   22  H   UNL     1     -14.216  -3.328   0.311  1.00  0.00           H  
HETATM   23  H   UNL     1     -14.195  -0.314   0.789  1.00  0.00           H  
HETATM   24  H   UNL     1     -12.060   0.398   0.374  1.00  0.00           H  
HETATM   25  H   UNL     1     -11.654  -1.240   0.942  1.00  0.00           H  
HETATM   26  H   UNL     1     -12.764  -2.086  -1.048  1.00  0.00           H  
HETATM   27  H   UNL     1     -10.364  -1.641  -1.138  1.00  0.00           H  
HETATM   28  H   UNL     1     -10.770  -0.004  -1.705  1.00  0.00           H  
HETATM   29  H   UNL     1      -9.629   0.964   0.272  1.00  0.00           H  
HETATM   30  H   UNL     1      -9.223  -0.673   0.840  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.933  -1.075  -1.240  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.339   0.563  -1.807  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.197   1.531   0.170  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.792  -0.107   0.738  1.00  0.00           H  
HETATM   35  H   UNL     1     -16.731  -4.419   0.519  1.00  0.00           H  
HETATM   36  H   UNL     1     -16.271  -1.285   3.265  1.00  0.00           H  
HETATM   37  H   UNL     1     -17.471   0.036   1.516  1.00  0.00           H  
HETATM   38  H   UNL     1     -16.143   0.149  -2.164  1.00  0.00           H  
HETATM   39  C   UNL     1      -5.727   0.512  -1.030  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.542   1.077  -0.244  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.295   1.079  -1.132  1.00  0.00           C  
HETATM   42  N   UNL     1      -2.161   1.620  -0.380  1.00  0.00           N  
HETATM   43  C   UNL     1      -0.950   1.717  -0.964  1.00  0.00           C  
HETATM   44  C   UNL     1       0.217   2.275  -0.190  1.00  0.00           C  
HETATM   45  C   UNL     1       1.464   2.276  -1.078  1.00  0.00           C  
HETATM   46  C   UNL     1       2.648   2.841  -0.292  1.00  0.00           C  
HETATM   47  C   UNL     1       3.895   2.842  -1.180  1.00  0.00           C  
HETATM   48  O   UNL     1      -0.800   1.357  -2.112  1.00  0.00           O  
HETATM   49  N   UNL     1       5.029   3.384  -0.428  1.00  0.00           N1+
HETATM   50  C   UNL     1       6.090   2.679  -0.127  1.00  0.00           C  
HETATM   51  C   UNL     1       7.030   3.582   0.646  1.00  0.00           C  
HETATM   52  C   UNL     1       6.281   4.894   0.703  1.00  0.00           C  
HETATM   53  C   UNL     1       5.081   4.667   0.018  1.00  0.00           C  
HETATM   54  H   UNL     1      -5.502  -0.508  -1.342  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.907   1.130  -1.909  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.766   2.097   0.068  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.361   0.460   0.635  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.071   0.059  -1.444  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.476   1.696  -2.011  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.281   1.909   0.539  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.007   3.295   0.122  1.00  0.00           H  
HETATM   62  H   UNL     1       0.398   1.657   0.689  1.00  0.00           H  
HETATM   63  H   UNL     1       1.688   1.256  -1.390  1.00  0.00           H  
HETATM   64  H   UNL     1       1.283   2.893  -1.957  1.00  0.00           H  
HETATM   65  H   UNL     1       2.424   3.861   0.020  1.00  0.00           H  
HETATM   66  H   UNL     1       2.829   2.224   0.587  1.00  0.00           H  
HETATM   67  H   UNL     1       4.119   1.822  -1.492  1.00  0.00           H  
HETATM   68  H   UNL     1       3.714   3.460  -2.059  1.00  0.00           H  
HETATM   69  C   UNL     1       4.163   5.722  -0.096  1.00  0.00           C  
HETATM   70  C   UNL     1       4.451   6.949   0.460  1.00  0.00           C  
HETATM   71  C   UNL     1       5.643   7.154   1.134  1.00  0.00           C  
HETATM   72  C   UNL     1       6.559   6.120   1.250  1.00  0.00           C  
HETATM   73  C   UNL     1       6.315   1.335  -0.459  1.00  0.00           C  
HETATM   74  C   UNL     1       7.490   0.733  -0.109  1.00  0.00           C  
HETATM   75  C   UNL     1       7.736  -0.595  -0.486  1.00  0.00           C  
HETATM   76  C   UNL     1       8.910  -1.196  -0.137  1.00  0.00           C  
HETATM   77  C   UNL     1       9.157  -2.529  -0.515  1.00  0.00           C  
HETATM   78  C   UNL     1      10.345  -3.106  -0.220  1.00  0.00           C  
HETATM   79  C   UNL     1       7.269   3.034   2.054  1.00  0.00           C  
HETATM   80  C   UNL     1       8.355   3.749  -0.102  1.00  0.00           C  
HETATM   81  C   UNL     1      10.776  -4.514  -0.571  1.00  0.00           C  
HETATM   82  C   UNL     1      12.173  -4.626  -0.007  1.00  0.00           C  
HETATM   83  C   UNL     1      12.464  -3.404   0.587  1.00  0.00           C  
HETATM   84  N   UNL     1      11.389  -2.528   0.449  1.00  0.00           N  
HETATM   85  C   UNL     1      11.375  -1.158   0.966  1.00  0.00           C  
HETATM   86  C   UNL     1       9.849  -5.538   0.087  1.00  0.00           C  
HETATM   87  C   UNL     1      10.794  -4.706  -2.089  1.00  0.00           C  
HETATM   88  C   UNL     1      13.706  -3.227   1.195  1.00  0.00           C  
HETATM   89  C   UNL     1      14.627  -4.255   1.202  1.00  0.00           C  
HETATM   90  C   UNL     1      14.325  -5.466   0.608  1.00  0.00           C  
HETATM   91  C   UNL     1      13.094  -5.650   0.002  1.00  0.00           C  
HETATM   92  H   UNL     1       3.231   5.572  -0.621  1.00  0.00           H  
HETATM   93  H   UNL     1       3.742   7.758   0.369  1.00  0.00           H  
HETATM   94  H   UNL     1       5.859   8.119   1.566  1.00  0.00           H  
HETATM   95  H   UNL     1       7.489   6.279   1.776  1.00  0.00           H  
HETATM   96  H   UNL     1       5.560   0.776  -0.992  1.00  0.00           H  
HETATM   97  H   UNL     1       8.229   1.280   0.458  1.00  0.00           H  
HETATM   98  H   UNL     1       6.997  -1.141  -1.053  1.00  0.00           H  
HETATM   99  H   UNL     1       9.649  -0.650   0.430  1.00  0.00           H  
HETATM  100  H   UNL     1       8.400  -3.090  -1.041  1.00  0.00           H  
HETATM  101  H   UNL     1       7.710   2.040   1.987  1.00  0.00           H  
HETATM  102  H   UNL     1       7.946   3.697   2.592  1.00  0.00           H  
HETATM  103  H   UNL     1       6.319   2.975   2.587  1.00  0.00           H  
HETATM  104  H   UNL     1       8.166   4.191  -1.080  1.00  0.00           H  
HETATM  105  H   UNL     1       9.015   4.401   0.470  1.00  0.00           H  
HETATM  106  H   UNL     1       8.826   2.775  -0.228  1.00  0.00           H  
HETATM  107  H   UNL     1      12.320  -0.949   1.468  1.00  0.00           H  
HETATM  108  H   UNL     1      11.242  -0.459   0.140  1.00  0.00           H  
HETATM  109  H   UNL     1      10.554  -1.044   1.674  1.00  0.00           H  
HETATM  110  H   UNL     1       8.828  -5.382  -0.263  1.00  0.00           H  
HETATM  111  H   UNL     1      10.173  -6.545  -0.176  1.00  0.00           H  
HETATM  112  H   UNL     1       9.884  -5.417   1.170  1.00  0.00           H  
HETATM  113  H   UNL     1      11.494  -3.999  -2.536  1.00  0.00           H  
HETATM  114  H   UNL     1      11.106  -5.723  -2.323  1.00  0.00           H  
HETATM  115  H   UNL     1       9.796  -4.530  -2.490  1.00  0.00           H  
HETATM  116  H   UNL     1      13.948  -2.284   1.661  1.00  0.00           H  
HETATM  117  H   UNL     1      15.587  -4.112   1.674  1.00  0.00           H  
HETATM  118  H   UNL     1      15.050  -6.268   0.615  1.00  0.00           H  
HETATM  119  H   UNL     1      12.856  -6.595  -0.462  1.00  0.00           H  
CONECT    1    6    2   16   17                                       
CONECT    2    1    3   15   18                                       
CONECT    3    4    2   13   19                                       
CONECT    4    5   14    3   20                                       
CONECT    5    6    4   21   22                                       
CONECT    6    5    1    8   23                                       
CONECT    7    8    9   24   25                                       
CONECT    8    6    7   26                                            
CONECT    9    7   10   27   28                                       
CONECT   10   11    9   29   30                                       
CONECT   11   10   12   31   32                                       
CONECT   12   11   33   34   39                                       
CONECT   13    3   35                                                 
CONECT   14    4   36                                                 
CONECT   15    2   37                                                 
CONECT   16    1   38                                                 
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   12   40   54   55                                       
CONECT   40   39   41   56   57                                       
CONECT   41   40   42   58   59                                       
CONECT   42   41   43   60                                            
CONECT   43   42   44   48   48                                       
CONECT   44   43   45   61   62                                       
CONECT   45   44   46   63   64                                       
CONECT   46   45   47   65   66                                       
CONECT   47   46   49   67   68                                       
CONECT   48   43   43                                                 
CONECT   49   47   50   50   53                                       
CONECT   50   49   49   51   73                                       
CONECT   51   50   52   79   80                                       
CONECT   52   51   53   72   72                                       
CONECT   53   52   49   69   69                                       
CONECT   54   39                                                      
CONECT   55   39                                                      
CONECT   56   40                                                      
CONECT   57   40                                                      
CONECT   58   41                                                      
CONECT   59   41                                                      
CONECT   60   42                                                      
CONECT   61   44                                                      
CONECT   62   44                                                      
CONECT   63   45                                                      
CONECT   64   45                                                      
CONECT   65   46                                                      
CONECT   66   46                                                      
CONECT   67   47                                                      
CONECT   68   47                                                      
CONECT   69   53   53   70   92                                       
CONECT   70   69   71   71   93                                       
CONECT   71   70   70   72   94                                       
CONECT   72   71   52   52   95                                       
CONECT   73   50   74   74   96                                       
CONECT   74   73   73   75   97                                       
CONECT   75   74   76   76   98                                       
CONECT   76   75   75   77   99                                       
CONECT   77   76   78   78  100                                       
CONECT   78   77   77   81   84                                       
CONECT   79   51  101  102  103                                       
CONECT   80   51  104  105  106                                       
CONECT   81   78   82   86   87                                       
CONECT   82   81   83   91   91                                       
CONECT   83   82   84   88   88                                       
CONECT   84   83   78   85                                            
CONECT   85   84  107  108  109                                       
CONECT   86   81  110  111  112                                       
CONECT   87   81  113  114  115                                       
CONECT   88   83   83   89  116                                       
CONECT   89   88   90   90  117                                       
CONECT   90   89   89   91  118                                       
CONECT   91   90   82   82  119                                       
CONECT   92   69                                                      
CONECT   93   70                                                      
CONECT   94   71                                                      
CONECT   95   72                                                      
CONECT   96   73                                                      
CONECT   97   74                                                      
CONECT   98   75                                                      
CONECT   99   76                                                      
CONECT  100   77                                                      
CONECT  101   79                                                      
CONECT  102   79                                                      
CONECT  103   79                                                      
CONECT  104   80                                                      
CONECT  105   80                                                      
CONECT  106   80                                                      
CONECT  107   85                                                      
CONECT  108   85                                                      
CONECT  109   85                                                      
CONECT  110   86                                                      
CONECT  111   86                                                      
CONECT  112   86                                                      
CONECT  113   87                                                      
CONECT  114   87                                                      
CONECT  115   87                                                      
CONECT  116   88                                                      
CONECT  117   89                                                      
CONECT  118   90                                                      
CONECT  119   91                                                      
MASTER        0    0    0    0    0    0    0    0  119    0  119    0
END
