COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -13.788 -15.658  15.401  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.897 -18.365  16.640  1.00  0.00           C  
HETATM    3  C   UNL     1     -15.510 -24.613  15.826  1.00  0.00           C  
HETATM    4  C   UNL     1     -14.488 -25.593  15.197  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.163 -22.644  14.062  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.082 -20.819  15.609  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.937 -23.185  14.831  1.00  0.00           C  
HETATM    8  C   UNL     1     -15.057 -18.339  17.232  1.00  0.00           C  
HETATM    9  C   UNL     1     -17.215 -20.495  16.260  1.00  0.00           C  
HETATM   10  C   UNL     1     -16.389 -22.405  17.763  1.00  0.00           C  
HETATM   11  C   UNL     1     -15.480 -24.767  17.372  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.485 -25.181  14.403  1.00  0.00           C  
HETATM   13  C   UNL     1     -13.281 -23.689  14.084  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.404 -23.533  12.842  1.00  0.00           C  
HETATM   15  C   UNL     1     -15.092 -15.453  13.111  1.00  0.00           C  
HETATM   16  C   UNL     1     -14.062 -14.897  14.097  1.00  0.00           C  
HETATM   17  C   UNL     1     -14.112 -17.451  16.914  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.593 -19.362  15.606  1.00  0.00           C  
HETATM   19  C   UNL     1     -15.842 -20.474  15.597  1.00  0.00           C  
HETATM   20  C   UNL     1     -17.479 -21.919  16.750  1.00  0.00           C  
HETATM   21  C   UNL     1     -16.605 -23.929  18.029  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.303 -22.089  17.625  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.844 -22.327  17.997  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.218 -21.164  17.076  1.00  0.00           C  
HETATM   25  C   UNL     1     -19.140 -19.029  15.518  1.00  0.00           C  
HETATM   26  C   UNL     1     -20.259 -18.794  14.501  1.00  0.00           C  
HETATM   27  C   UNL     1     -12.118 -13.929  16.066  1.00  0.00           C  
HETATM   28  C   UNL     1     -11.087 -13.408  17.092  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.339 -12.115  16.784  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.211 -12.447  18.828  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.592 -11.336  15.491  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.612 -11.861  14.484  1.00  0.00           C  
HETATM   33  C   UNL     1     -12.375 -13.174  14.793  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.240 -21.503  18.700  1.00  0.00           C  
HETATM   35  C   UNL     1     -20.066 -17.487  13.722  1.00  0.00           C  
HETATM   36  C   UNL     1     -22.197 -20.023  15.479  1.00  0.00           C  
HETATM   37  C   UNL     1     -23.956 -21.284  16.487  1.00  0.00           C  
HETATM   38  C   UNL     1     -18.713 -17.483  12.965  1.00  0.00           C  
HETATM   39  C   UNL     1     -20.122 -16.328  14.739  1.00  0.00           C  
HETATM   40  C   UNL     1     -21.216 -17.358  12.687  1.00  0.00           C  
HETATM   41  N   UNL     1     -14.834 -19.470  16.053  1.00  0.00           N  
HETATM   42  N   UNL     1     -12.562 -21.262  14.313  1.00  0.00           N  
HETATM   43  N   UNL     1     -10.312 -22.489  15.667  1.00  0.00           N  
HETATM   44  N   UNL     1     -18.263 -20.197  15.307  1.00  0.00           N  
HETATM   45  N   UNL     1     -21.488 -18.760  15.252  1.00  0.00           N  
HETATM   46  N   UNL     1     -12.832 -15.177  16.360  1.00  0.00           N  
HETATM   47  N   UNL     1     -13.350 -13.669  13.812  1.00  0.00           N  
HETATM   48  O   UNL     1     -14.499 -16.836  15.644  1.00  0.00           O  
HETATM   49  O   UNL     1     -15.598 -21.243  14.745  1.00  0.00           O  
HETATM   50  O   UNL     1     -13.150 -21.526  16.548  1.00  0.00           O  
HETATM   51  O   UNL     1     -10.503 -24.471  14.575  1.00  0.00           O  
HETATM   52  O   UNL     1      -9.402 -24.479  17.078  1.00  0.00           O  
HETATM   53  O   UNL     1      -7.972 -23.675  15.459  1.00  0.00           O  
HETATM   54  O   UNL     1     -19.000 -18.322  16.454  1.00  0.00           O  
HETATM   55  O   UNL     1      -9.418 -11.632  17.704  1.00  0.00           O  
HETATM   56  O   UNL     1     -21.935 -20.971  14.825  1.00  0.00           O  
HETATM   57  O   UNL     1     -23.197 -20.089  16.473  1.00  0.00           O  
HETATM   58  S   UNL     1      -8.984 -23.262  16.410  1.00  0.00           S  
HETATM   59  H   UNL     1     -12.552 -18.881  17.548  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.057 -17.817  16.188  1.00  0.00           H  
HETATM   61  H   UNL     1     -15.245 -23.581  15.554  1.00  0.00           H  
HETATM   62  H   UNL     1     -16.519 -24.844  15.453  1.00  0.00           H  
HETATM   63  H   UNL     1     -14.585 -26.648  15.405  1.00  0.00           H  
HETATM   64  H   UNL     1     -16.062 -17.895  17.181  1.00  0.00           H  
HETATM   65  H   UNL     1     -14.893 -18.762  18.234  1.00  0.00           H  
HETATM   66  H   UNL     1     -17.236 -19.794  17.108  1.00  0.00           H  
HETATM   67  H   UNL     1     -15.388 -22.241  17.338  1.00  0.00           H  
HETATM   68  H   UNL     1     -16.483 -21.847  18.706  1.00  0.00           H  
HETATM   69  H   UNL     1     -15.621 -25.827  17.632  1.00  0.00           H  
HETATM   70  H   UNL     1     -14.506 -24.423  17.750  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.809 -25.910  13.981  1.00  0.00           H  
HETATM   72  H   UNL     1     -14.255 -23.203  13.922  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.825 -23.102  11.922  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.677 -24.316  12.580  1.00  0.00           H  
HETATM   75  H   UNL     1     -15.162 -14.787  12.238  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.781 -16.456  12.783  1.00  0.00           H  
HETATM   77  H   UNL     1     -16.074 -15.516  13.603  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.889 -16.709  17.695  1.00  0.00           H  
HETATM   79  H   UNL     1     -13.526 -18.941  14.592  1.00  0.00           H  
HETATM   80  H   UNL     1     -18.461 -21.947  17.245  1.00  0.00           H  
HETATM   81  H   UNL     1     -17.485 -22.597  15.884  1.00  0.00           H  
HETATM   82  H   UNL     1     -17.575 -24.235  17.609  1.00  0.00           H  
HETATM   83  H   UNL     1     -16.602 -24.110  19.114  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.308 -23.198  17.593  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.498 -22.128  19.022  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.952 -21.199  16.009  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.142 -20.128  17.439  1.00  0.00           H  
HETATM   88  H   UNL     1     -20.274 -19.632  13.789  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.900 -13.948  18.008  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.469 -11.978  19.490  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.160 -12.571  19.371  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.843 -13.432  18.504  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.053 -10.422  15.293  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.800 -11.323  13.566  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.673 -20.818  19.347  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.059 -20.953  18.212  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.658 -22.320  19.307  1.00  0.00           H  
HETATM   98  H   UNL     1     -24.703 -21.235  17.293  1.00  0.00           H  
HETATM   99  H   UNL     1     -24.467 -21.405  15.521  1.00  0.00           H  
HETATM  100  H   UNL     1     -23.288 -22.141  16.658  1.00  0.00           H  
HETATM  101  H   UNL     1     -17.888 -17.574  13.687  1.00  0.00           H  
HETATM  102  H   UNL     1     -18.682 -18.331  12.265  1.00  0.00           H  
HETATM  103  H   UNL     1     -18.609 -16.542  12.406  1.00  0.00           H  
HETATM  104  H   UNL     1     -19.301 -16.435  15.464  1.00  0.00           H  
HETATM  105  H   UNL     1     -20.020 -15.370  14.209  1.00  0.00           H  
HETATM  106  H   UNL     1     -21.085 -16.352  15.270  1.00  0.00           H  
HETATM  107  H   UNL     1     -22.183 -17.360  13.211  1.00  0.00           H  
HETATM  108  H   UNL     1     -21.103 -16.417  12.129  1.00  0.00           H  
HETATM  109  H   UNL     1     -21.177 -18.206  11.988  1.00  0.00           H  
HETATM  110  H   UNL     1     -12.477 -20.594  13.574  1.00  0.00           H  
HETATM  111  H   UNL     1     -10.573 -21.548  15.883  1.00  0.00           H  
HETATM  112  H   UNL     1     -18.393 -20.782  14.506  1.00  0.00           H  
HETATM  113  H   UNL     1     -21.848 -17.898  15.609  1.00  0.00           H  
CONECT    1   16   48   46   46                                       
CONECT    2   18   17   59   60                                       
CONECT    3    4   11   61   62                                       
CONECT    4   12   12    3   63                                       
CONECT    5   14   13   42    7                                       
CONECT    6   42   18   50   50                                       
CONECT    7    5   51   51   43                                       
CONECT    8   41   17   64   65                                       
CONECT    9   44   19   20   66                                       
CONECT   10   20   21   67   68                                       
CONECT   11    3   21   69   70                                       
CONECT   12   13    4    4   71                                       
CONECT   13   14    5   12   72                                       
CONECT   14    5   13   73   74                                       
CONECT   15   16   75   76   77                                       
CONECT   16   15   47   47    1                                       
CONECT   17   48    2    8   78                                       
CONECT   18    6   41    2   79                                       
CONECT   19   49   49   41    9                                       
CONECT   20    9   10   80   81                                       
CONECT   21   11   10   82   83                                       
CONECT   22   58   24   23   34                                       
CONECT   23   24   22   84   85                                       
CONECT   24   22   23   86   87                                       
CONECT   25   26   44   54   54                                       
CONECT   26   35   45   25   88                                       
CONECT   27   33   46   28   28                                       
CONECT   28   27   27   29   89                                       
CONECT   29   31   31   28   55                                       
CONECT   30   55   90   91   92                                       
CONECT   31   32   29   29   93                                       
CONECT   32   33   33   31   94                                       
CONECT   33   47   32   32   27                                       
CONECT   34   22   95   96   97                                       
CONECT   35   40   38   26   39                                       
CONECT   36   56   56   45   57                                       
CONECT   37   57   98   99  100                                       
CONECT   38   35  101  102  103                                       
CONECT   39   35  104  105  106                                       
CONECT   40   35  107  108  109                                       
CONECT   41   19   18    8                                            
CONECT   42    5    6  110                                            
CONECT   43    7   58  111                                            
CONECT   44   25    9  112                                            
CONECT   45   26   36  113                                            
CONECT   46    1    1   27                                            
CONECT   47   16   16   33                                            
CONECT   48    1   17                                                 
CONECT   49   19   19                                                 
CONECT   50    6    6                                                 
CONECT   51    7    7                                                 
CONECT   52   58   58                                                 
CONECT   53   58   58                                                 
CONECT   54   25   25                                                 
CONECT   55   29   30                                                 
CONECT   56   36   36                                                 
CONECT   57   36   37                                                 
CONECT   58   53   53   43   52                                       
CONECT   58   52   22                                                 
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   14                                                      
CONECT   75   15                                                      
CONECT   76   15                                                      
CONECT   77   15                                                      
CONECT   78   17                                                      
CONECT   79   18                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   26                                                      
CONECT   89   28                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   32                                                      
CONECT   95   34                                                      
CONECT   96   34                                                      
CONECT   97   34                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   39                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   40                                                      
CONECT  109   40                                                      
CONECT  110   42                                                      
CONECT  111   43                                                      
CONECT  112   44                                                      
CONECT  113   45                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
