COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.784  -0.242  -0.439  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.780  -1.244  -1.013  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.605  -1.393  -0.041  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.979  -0.015   0.200  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.053   0.939   0.727  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.450   2.333   0.913  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.131  -2.796  -2.318  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.803  -4.132  -2.503  1.00  0.00           C  
HETATM    9  N   UNL     1      -8.433  -2.543  -1.194  1.00  0.00           N  
HETATM   10  O   UNL     1      -9.855  -0.056  -1.366  1.00  0.00           O  
HETATM   11  O   UNL     1      -5.628  -2.271  -0.603  1.00  0.00           O  
HETATM   12  O   UNL     1      -4.927  -0.131   1.160  1.00  0.00           O  
HETATM   13  O   UNL     1      -8.130   1.008  -0.210  1.00  0.00           O  
HETATM   14  O   UNL     1      -7.411   3.190   1.532  1.00  0.00           O  
HETATM   15  O   UNL     1      -9.219  -1.948  -3.181  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.749   0.603   0.822  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.779   0.586   2.006  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.494   1.323   1.615  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.900   0.662   0.367  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.942   0.676  -0.754  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.377  -0.036  -1.985  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.206   0.564   3.981  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.841   1.252   5.162  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.396   1.255   3.154  1.00  0.00           N  
HETATM   25  O   UNL     1      -0.555   1.250   2.690  1.00  0.00           O  
HETATM   26  O   UNL     1       0.260   1.385  -0.049  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.122   0.002  -0.314  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.294   0.094  -3.073  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.422  -0.611   3.776  1.00  0.00           O  
HETATM   30  C   UNL     1       1.363   0.554  -0.416  1.00  0.00           C  
HETATM   31  C   UNL     1       2.464   1.413  -1.044  1.00  0.00           C  
HETATM   32  C   UNL     1       3.666   0.525  -1.379  1.00  0.00           C  
HETATM   33  C   UNL     1       4.136  -0.182  -0.103  1.00  0.00           C  
HETATM   34  C   UNL     1       2.971  -0.979   0.488  1.00  0.00           C  
HETATM   35  C   UNL     1       3.415  -1.640   1.794  1.00  0.00           C  
HETATM   36  C   UNL     1       1.273   3.196  -2.201  1.00  0.00           C  
HETATM   37  C   UNL     1       0.753   3.839  -3.461  1.00  0.00           C  
HETATM   38  N   UNL     1       1.959   2.038  -2.269  1.00  0.00           N  
HETATM   39  O   UNL     1       4.726   1.331  -1.897  1.00  0.00           O  
HETATM   40  O   UNL     1       5.212  -1.068  -0.417  1.00  0.00           O  
HETATM   41  O   UNL     1       1.875  -0.099   0.747  1.00  0.00           O  
HETATM   42  O   UNL     1       2.372  -2.488   2.278  1.00  0.00           O  
HETATM   43  O   UNL     1       1.074   3.721  -1.126  1.00  0.00           O  
HETATM   44  C   UNL     1       6.483  -0.636   0.075  1.00  0.00           C  
HETATM   45  C   UNL     1       7.544  -1.688  -0.260  1.00  0.00           C  
HETATM   46  N   UNL     1       7.216  -2.949   0.419  1.00  0.00           N1+
HETATM   47  C   UNL     1       8.912  -1.191   0.217  1.00  0.00           C  
HETATM   48  O   UNL     1       9.919  -2.133  -0.156  1.00  0.00           O  
HETATM   49  C   UNL     1       9.208   0.162  -0.438  1.00  0.00           C  
HETATM   50  O   UNL     1      10.449   0.670   0.055  1.00  0.00           O  
HETATM   51  C   UNL     1       8.083   1.142  -0.097  1.00  0.00           C  
HETATM   52  O   UNL     1       6.834   0.606  -0.539  1.00  0.00           O  
HETATM   53  C   UNL     1       8.340   2.478  -0.796  1.00  0.00           C  
HETATM   54  O   UNL     1       7.355   3.429  -0.386  1.00  0.00           O  
HETATM   55  C   UNL     1       8.290  -3.923   0.187  1.00  0.00           C  
HETATM   56  C   UNL     1       7.076  -2.707   1.861  1.00  0.00           C  
HETATM   57  C   UNL     1       5.953  -3.477  -0.114  1.00  0.00           C  
HETATM   58  H   UNL     1      -9.180  -0.623   0.502  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.414  -0.883  -1.974  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.963  -1.802   0.904  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.577   0.370  -0.737  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.426   0.574   1.684  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.564   2.264   1.546  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.171   2.741  -0.058  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.316  -4.151  -3.465  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.054  -4.923  -2.476  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.527  -4.289  -1.703  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.363  -3.221  -0.503  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.530   0.569  -1.067  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.958  -3.160  -0.788  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.096   4.092   1.681  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.016   1.633   0.586  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.542  -0.445   2.268  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.723   2.366   1.401  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.624  -0.368   0.596  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.186   1.707  -1.010  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.423   0.415  -2.259  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.229  -1.091  -1.758  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.803   1.669   4.865  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.990   0.531   5.966  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.189   2.054   5.509  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.223   2.195   3.319  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.870   1.645   3.514  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.000  -0.335  -3.888  1.00  0.00           H  
HETATM   85  H   UNL     1       1.031  -0.194  -1.136  1.00  0.00           H  
HETATM   86  H   UNL     1       2.768   2.187  -0.339  1.00  0.00           H  
HETATM   87  H   UNL     1       3.375  -0.217  -2.122  1.00  0.00           H  
HETATM   88  H   UNL     1       4.474   0.560   0.620  1.00  0.00           H  
HETATM   89  H   UNL     1       2.660  -1.747  -0.220  1.00  0.00           H  
HETATM   90  H   UNL     1       4.312  -2.232   1.615  1.00  0.00           H  
HETATM   91  H   UNL     1       3.630  -0.870   2.536  1.00  0.00           H  
HETATM   92  H   UNL     1       1.027   3.227  -4.321  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.332   3.922  -3.406  1.00  0.00           H  
HETATM   94  H   UNL     1       1.189   4.832  -3.569  1.00  0.00           H  
HETATM   95  H   UNL     1       2.118   1.618  -3.128  1.00  0.00           H  
HETATM   96  H   UNL     1       4.495   1.813  -2.703  1.00  0.00           H  
HETATM   97  H   UNL     1       2.586  -2.941   3.106  1.00  0.00           H  
HETATM   98  H   UNL     1       6.429  -0.505   1.155  1.00  0.00           H  
HETATM   99  H   UNL     1       7.570  -1.849  -1.337  1.00  0.00           H  
HETATM  100  H   UNL     1       8.901  -1.077   1.301  1.00  0.00           H  
HETATM  101  H   UNL     1      10.813  -1.882   0.115  1.00  0.00           H  
HETATM  102  H   UNL     1       9.269   0.038  -1.519  1.00  0.00           H  
HETATM  103  H   UNL     1      10.700   1.526  -0.318  1.00  0.00           H  
HETATM  104  H   UNL     1       8.050   1.297   0.982  1.00  0.00           H  
HETATM  105  H   UNL     1       9.331   2.844  -0.527  1.00  0.00           H  
HETATM  106  H   UNL     1       8.285   2.340  -1.876  1.00  0.00           H  
HETATM  107  H   UNL     1       7.457   4.301  -0.791  1.00  0.00           H  
HETATM  108  H   UNL     1       9.148  -3.674   0.813  1.00  0.00           H  
HETATM  109  H   UNL     1       7.935  -4.922   0.439  1.00  0.00           H  
HETATM  110  H   UNL     1       8.586  -3.896  -0.862  1.00  0.00           H  
HETATM  111  H   UNL     1       6.214  -2.065   2.040  1.00  0.00           H  
HETATM  112  H   UNL     1       6.935  -3.657   2.377  1.00  0.00           H  
HETATM  113  H   UNL     1       7.976  -2.219   2.236  1.00  0.00           H  
HETATM  114  H   UNL     1       5.993  -3.486  -1.203  1.00  0.00           H  
HETATM  115  H   UNL     1       5.801  -4.492   0.252  1.00  0.00           H  
HETATM  116  H   UNL     1       5.127  -2.845   0.214  1.00  0.00           H  
CONECT    1   10   13    2   58                                       
CONECT    2    1    9    3   59                                       
CONECT    3    4    2   11   60                                       
CONECT    4   12    5    3   61                                       
CONECT    5   13    6    4   62                                       
CONECT    6   14    5   63   64                                       
CONECT    7    8    9   15   15                                       
CONECT    8    7   65   66   67                                       
CONECT    9    7    2   68                                            
CONECT   10    1   69                                                 
CONECT   11    3   70                                                 
CONECT   12   16    4                                                 
CONECT   13    1    5                                                 
CONECT   14    6   71                                                 
CONECT   15    7    7                                                 
CONECT   16   27   12   17   72                                       
CONECT   17   18   16   24   73                                       
CONECT   18   19   25   17   74                                       
CONECT   19   20   26   18   75                                       
CONECT   20   21   19   27   76                                       
CONECT   21   28   20   77   78                                       
CONECT   22   29   29   24   23                                       
CONECT   23   22   79   80   81                                       
CONECT   24   17   22   82                                            
CONECT   25   18   83                                                 
CONECT   26   30   19                                                 
CONECT   27   20   16                                                 
CONECT   28   21   84                                                 
CONECT   29   22   22                                                 
CONECT   30   41   31   26   85                                       
CONECT   31   32   30   38   86                                       
CONECT   32   33   39   31   87                                       
CONECT   33   40   34   32   88                                       
CONECT   34   35   33   41   89                                       
CONECT   35   42   34   90   91                                       
CONECT   36   38   43   43   37                                       
CONECT   37   36   92   93   94                                       
CONECT   38   31   36   95                                            
CONECT   39   32   96                                                 
CONECT   40   44   33                                                 
CONECT   41   34   30                                                 
CONECT   42   35   97                                                 
CONECT   43   36   36                                                 
CONECT   44   45   40   52   98                                       
CONECT   45   46   47   44   99                                       
CONECT   46   57   55   45   56                                       
CONECT   47   48   45   49  100                                       
CONECT   48   47  101                                                 
CONECT   49   47   50   51  102                                       
CONECT   50   49  103                                                 
CONECT   51   49   52   53  104                                       
CONECT   52   44   51                                                 
CONECT   53   51   54  105  106                                       
CONECT   54   53  107                                                 
CONECT   55   46  108  109  110                                       
CONECT   56   46  111  112  113                                       
CONECT   57   46  114  115  116                                       
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   14                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   28                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   42                                                      
CONECT   98   44                                                      
CONECT   99   45                                                      
CONECT  100   47                                                      
CONECT  101   48                                                      
CONECT  102   49                                                      
CONECT  103   50                                                      
CONECT  104   51                                                      
CONECT  105   53                                                      
CONECT  106   53                                                      
CONECT  107   54                                                      
CONECT  108   55                                                      
CONECT  109   55                                                      
CONECT  110   55                                                      
CONECT  111   56                                                      
CONECT  112   56                                                      
CONECT  113   56                                                      
CONECT  114   57                                                      
CONECT  115   57                                                      
CONECT  116   57                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
