COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.340  -5.357  -0.812  1.00  0.00           C  
HETATM    2  C   UNL     1       0.966  -6.067  -0.740  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.047  -4.914  -0.605  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.857  -5.082   0.683  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.981  -0.228   2.226  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.063   1.144   1.555  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.900   2.279  -0.257  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.233   0.987  -1.965  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.755   2.540  -3.387  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.004   3.144  -2.364  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.217   5.170  -3.428  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.219   3.351  -4.436  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.807   2.720   0.914  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.244   1.956   2.133  1.00  0.00           C  
HETATM   15  C   UNL     1       1.943  -3.925  -1.254  1.00  0.00           C  
HETATM   16  C   UNL     1       3.010  -2.508   0.370  1.00  0.00           C  
HETATM   17  C   UNL     1       4.736  -1.628  -1.150  1.00  0.00           C  
HETATM   18  C   UNL     1       5.851  -0.965  -1.859  1.00  0.00           C  
HETATM   19  C   UNL     1       6.680  -0.080  -1.178  1.00  0.00           C  
HETATM   20  C   UNL     1       7.727   0.539  -1.859  1.00  0.00           C  
HETATM   21  C   UNL     1       8.626   1.482  -1.176  1.00  0.00           C  
HETATM   22  C   UNL     1       9.363   2.721   0.821  1.00  0.00           C  
HETATM   23  C   UNL     1       9.395   2.428   2.323  1.00  0.00           C  
HETATM   24  C   UNL     1       7.988   2.582   2.902  1.00  0.00           C  
HETATM   25  C   UNL     1       7.495   4.012   2.672  1.00  0.00           C  
HETATM   26  C   UNL     1       6.157   4.574   4.580  1.00  0.00           C  
HETATM   27  C   UNL     1       4.706   4.694   5.052  1.00  0.00           C  
HETATM   28  C   UNL     1       2.730   3.404   5.469  1.00  0.00           C  
HETATM   29  C   UNL     1       7.462   4.304   1.171  1.00  0.00           C  
HETATM   30  C   UNL     1       8.870   4.151   0.591  1.00  0.00           C  
HETATM   31  C   UNL     1       9.636   2.057  -1.901  1.00  0.00           C  
HETATM   32  C   UNL     1       9.794   1.744  -3.257  1.00  0.00           C  
HETATM   33  C   UNL     1       9.193   0.598  -5.308  1.00  0.00           C  
HETATM   34  C   UNL     1       7.938   0.266  -3.223  1.00  0.00           C  
HETATM   35  C   UNL     1       7.097  -0.624  -3.885  1.00  0.00           C  
HETATM   36  C   UNL     1       6.075  -1.232  -3.215  1.00  0.00           C  
HETATM   37  C   UNL     1       3.864  -2.509  -1.685  1.00  0.00           C  
HETATM   38  N   UNL     1      -8.685   2.139  -1.485  1.00  0.00           N  
HETATM   39  N   UNL     1      -9.860   1.224  -3.081  1.00  0.00           N  
HETATM   40  N   UNL     1      -8.762   4.449  -2.425  1.00  0.00           N  
HETATM   41  N   UNL     1      -9.927   4.647  -4.411  1.00  0.00           N  
HETATM   42  N   UNL     1     -10.962   2.812  -5.472  1.00  0.00           N  
HETATM   43  N   UNL     1       2.961  -2.957  -0.840  1.00  0.00           N1+
HETATM   44  N   UNL     1       8.456   1.779   0.159  1.00  0.00           N  
HETATM   45  N   UNL     1       8.977   0.884  -3.888  1.00  0.00           N  
HETATM   46  O   UNL     1       3.183  -5.976  -1.786  1.00  0.00           O  
HETATM   47  O   UNL     1       0.723  -6.809  -1.937  1.00  0.00           O  
HETATM   48  O   UNL     1      -1.871  -4.077   0.742  1.00  0.00           O  
HETATM   49  O   UNL     1      -3.613  -5.243   2.148  1.00  0.00           O  
HETATM   50  O   UNL     1      -3.987  -2.799   1.638  1.00  0.00           O  
HETATM   51  O   UNL     1      -6.532  -3.446   1.775  1.00  0.00           O  
HETATM   52  O   UNL     1      -5.817  -0.916   1.763  1.00  0.00           O  
HETATM   53  O   UNL     1      -7.367   1.000   0.151  1.00  0.00           O  
HETATM   54  O   UNL     1      -8.711   4.130   1.119  1.00  0.00           O  
HETATM   55  O   UNL     1      -7.783   2.872   3.128  1.00  0.00           O  
HETATM   56  O   UNL     1      -5.331  -2.409   3.739  1.00  0.00           O  
HETATM   57  O   UNL     1      -2.115  -3.578   3.312  1.00  0.00           O  
HETATM   58  O   UNL     1       0.702  -3.689  -0.554  1.00  0.00           O  
HETATM   59  O   UNL     1       6.180   4.155   3.214  1.00  0.00           O  
HETATM   60  O   UNL     1       4.094   3.403   5.042  1.00  0.00           O  
HETATM   61  O   UNL     1      10.700   2.269  -3.884  1.00  0.00           O  
HETATM   62  P   UNL     1      -2.912  -3.953   1.964  1.00  0.00           P  
HETATM   63  P   UNL     1      -5.415  -2.393   2.261  1.00  0.00           P  
HETATM   64  S   UNL     1       4.300  -1.400   0.543  1.00  0.00           S  
HETATM   65  H   UNL     1       2.823  -5.343   0.165  1.00  0.00           H  
HETATM   66  H   UNL     1       0.920  -6.720   0.131  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.717  -4.906  -1.465  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.321  -6.068   0.694  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.195  -4.982   1.543  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.923  -0.102   3.307  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.870  -0.808   1.976  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.128   1.688   1.689  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.094   2.998  -0.402  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.155   0.020  -1.492  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.002   6.228  -3.447  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.842   2.432   0.725  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.999   1.288   2.548  1.00  0.00           H  
HETATM   78  H   UNL     1       1.792  -3.884  -2.333  1.00  0.00           H  
HETATM   79  H   UNL     1       2.329  -2.790   1.159  1.00  0.00           H  
HETATM   80  H   UNL     1       6.513   0.126  -0.131  1.00  0.00           H  
HETATM   81  H   UNL     1      10.366   2.611   0.408  1.00  0.00           H  
HETATM   82  H   UNL     1       9.746   1.409   2.487  1.00  0.00           H  
HETATM   83  H   UNL     1      10.069   3.128   2.815  1.00  0.00           H  
HETATM   84  H   UNL     1       7.313   1.881   2.410  1.00  0.00           H  
HETATM   85  H   UNL     1       8.011   2.373   3.972  1.00  0.00           H  
HETATM   86  H   UNL     1       8.169   4.712   3.165  1.00  0.00           H  
HETATM   87  H   UNL     1       6.650   5.542   4.671  1.00  0.00           H  
HETATM   88  H   UNL     1       6.679   3.841   5.194  1.00  0.00           H  
HETATM   89  H   UNL     1       4.686   5.099   6.064  1.00  0.00           H  
HETATM   90  H   UNL     1       4.161   5.360   4.384  1.00  0.00           H  
HETATM   91  H   UNL     1       2.338   2.387   5.433  1.00  0.00           H  
HETATM   92  H   UNL     1       2.669   3.781   6.489  1.00  0.00           H  
HETATM   93  H   UNL     1       2.143   4.043   4.809  1.00  0.00           H  
HETATM   94  H   UNL     1       6.788   3.604   0.678  1.00  0.00           H  
HETATM   95  H   UNL     1       7.111   5.323   1.007  1.00  0.00           H  
HETATM   96  H   UNL     1       9.544   4.851   1.083  1.00  0.00           H  
HETATM   97  H   UNL     1       8.847   4.359  -0.479  1.00  0.00           H  
HETATM   98  H   UNL     1      10.311   2.753  -1.425  1.00  0.00           H  
HETATM   99  H   UNL     1      10.050   1.168  -5.668  1.00  0.00           H  
HETATM  100  H   UNL     1       9.386  -0.467  -5.439  1.00  0.00           H  
HETATM  101  H   UNL     1       8.306   0.879  -5.875  1.00  0.00           H  
HETATM  102  H   UNL     1       7.255  -0.836  -4.933  1.00  0.00           H  
HETATM  103  H   UNL     1       5.430  -1.924  -3.737  1.00  0.00           H  
HETATM  104  H   UNL     1       3.903  -2.818  -2.719  1.00  0.00           H  
HETATM  105  H   UNL     1     -11.169   1.865  -5.479  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.277   3.382  -6.191  1.00  0.00           H  
HETATM  107  H   UNL     1       7.737   1.365   0.661  1.00  0.00           H  
HETATM  108  H   UNL     1       3.386  -6.902  -1.599  1.00  0.00           H  
HETATM  109  H   UNL     1       1.368  -7.511  -2.102  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.641  -3.489   0.815  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.261   4.461   1.843  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.483   3.407   3.525  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.632  -2.742   3.263  1.00  0.00           H  
CONECT    1   46    2   15   65                                       
CONECT    2   47    1    3   66                                       
CONECT    3    2   58    4   67                                       
CONECT    4    3   48   68   69                                       
CONECT    5   52    6   70   71                                       
CONECT    6    5   53   14   72                                       
CONECT    7   53   38   13   73                                       
CONECT    8   39   39   38   74                                       
CONECT    9   39   12   12   10                                       
CONECT   10    9   38   40   40                                       
CONECT   11   41   41   40   75                                       
CONECT   12   42    9    9   41                                       
CONECT   13    7   14   54   76                                       
CONECT   14    6   13   55   77                                       
CONECT   15    1   58   43   78                                       
CONECT   16   43   43   64   79                                       
CONECT   17   37   37   64   18                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   20   80                                       
CONECT   20   19   21   34   34                                       
CONECT   21   44   20   31   31                                       
CONECT   22   23   30   44   81                                       
CONECT   23   24   22   82   83                                       
CONECT   24   25   23   84   85                                       
CONECT   25   59   29   24   86                                       
CONECT   26   27   59   87   88                                       
CONECT   27   60   26   89   90                                       
CONECT   28   60   91   92   93                                       
CONECT   29   25   30   94   95                                       
CONECT   30   29   22   96   97                                       
CONECT   31   21   21   32   98                                       
CONECT   32   31   45   61   61                                       
CONECT   33   45   99  100  101                                       
CONECT   34   20   20   35   45                                       
CONECT   35   36   36   34  102                                       
CONECT   36   18   35   35  103                                       
CONECT   37   43   17   17  104                                       
CONECT   38    8    7   10                                            
CONECT   39    8    8    9                                            
CONECT   40   10   10   11                                            
CONECT   41   12   11   11                                            
CONECT   42   12  105  106                                            
CONECT   43   15   16   16   37                                       
CONECT   44   22   21  107                                            
CONECT   45   34   32   33                                            
CONECT   46    1  108                                                 
CONECT   47    2  109                                                 
CONECT   48    4   62                                                 
CONECT   49   62   62                                                 
CONECT   50   62   63                                                 
CONECT   51   63  110                                                 
CONECT   52   63    5                                                 
CONECT   53    6    7                                                 
CONECT   54   13  111                                                 
CONECT   55   14  112                                                 
CONECT   56   63   63                                                 
CONECT   57   62  113                                                 
CONECT   58   15    3                                                 
CONECT   59   26   25                                                 
CONECT   60   28   27                                                 
CONECT   61   32   32                                                 
CONECT   62   49   49   48   57                                       
CONECT   62   50                                                      
CONECT   63   50   56   56   51                                       
CONECT   63   52                                                      
CONECT   64   16   17                                                 
CONECT   65    1                                                      
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    4                                                      
CONECT   69    4                                                      
CONECT   70    5                                                      
CONECT   71    5                                                      
CONECT   72    6                                                      
CONECT   73    7                                                      
CONECT   74    8                                                      
CONECT   75   11                                                      
CONECT   76   13                                                      
CONECT   77   14                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   19                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   25                                                      
CONECT   87   26                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   28                                                      
CONECT   92   28                                                      
CONECT   93   28                                                      
CONECT   94   29                                                      
CONECT   95   29                                                      
CONECT   96   30                                                      
CONECT   97   30                                                      
CONECT   98   31                                                      
CONECT   99   33                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   35                                                      
CONECT  103   36                                                      
CONECT  104   37                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   44                                                      
CONECT  108   46                                                      
CONECT  109   47                                                      
CONECT  110   51                                                      
CONECT  111   54                                                      
CONECT  112   55                                                      
CONECT  113   57                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
