COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.176   2.700  -0.429  1.00  0.00           C  
HETATM    2  O   UNL     1       6.116   3.270  -0.281  1.00  0.00           O  
HETATM    3  C   UNL     1       8.396   3.474  -0.857  1.00  0.00           C  
HETATM    4  N   UNL     1       7.264   1.374  -0.205  1.00  0.00           N  
HETATM    5  C   UNL     1       6.080   0.622   0.216  1.00  0.00           C  
HETATM    6  C   UNL     1       5.007   0.743  -0.835  1.00  0.00           C  
HETATM    7  O   UNL     1       5.046   1.650  -1.639  1.00  0.00           O  
HETATM    8  C   UNL     1       5.562   1.186   1.541  1.00  0.00           C  
HETATM    9  C   UNL     1       6.587   0.954   2.621  1.00  0.00           C  
HETATM   10  C   UNL     1       7.562   1.903   2.864  1.00  0.00           C  
HETATM   11  C   UNL     1       6.549  -0.206   3.372  1.00  0.00           C  
HETATM   12  C   UNL     1       8.502   1.690   3.854  1.00  0.00           C  
HETATM   13  C   UNL     1       7.489  -0.419   4.363  1.00  0.00           C  
HETATM   14  C   UNL     1       8.467   0.528   4.602  1.00  0.00           C  
HETATM   15  N   UNL     1       4.005  -0.157  -0.882  1.00  0.00           N  
HETATM   16  C   UNL     1       2.962  -0.039  -1.904  1.00  0.00           C  
HETATM   17  C   UNL     1       2.343  -1.415  -2.163  1.00  0.00           C  
HETATM   18  C   UNL     1       3.026  -2.455  -1.273  1.00  0.00           C  
HETATM   19  C   UNL     1       2.470  -2.352   0.149  1.00  0.00           C  
HETATM   20  N   UNL     1       1.133  -2.995   0.176  1.00  0.00           N  
HETATM   21  C   UNL     1       1.893   0.908  -1.425  1.00  0.00           C  
HETATM   22  O   UNL     1       1.181   0.594  -0.495  1.00  0.00           O  
HETATM   23  N   UNL     1       1.726   2.103  -2.026  1.00  0.00           N  
HETATM   24  C   UNL     1       0.701   3.087  -1.668  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.636   2.397  -1.554  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.091   1.781  -2.494  1.00  0.00           O  
HETATM   27  C   UNL     1       0.649   4.141  -2.776  1.00  0.00           C  
HETATM   28  C   UNL     1       1.728   3.750  -3.798  1.00  0.00           C  
HETATM   29  C   UNL     1       2.530   2.625  -3.129  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.879   3.805  -0.956  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.369   3.189  -2.268  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.525   4.289  -3.320  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.541   5.323  -2.831  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.050   5.938  -1.519  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.895   4.839  -0.466  1.00  0.00           C  
HETATM   36  N   UNL     1      -1.323   2.477  -0.382  1.00  0.00           N  
HETATM   37  C   UNL     1      -2.607   1.748  -0.327  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.723   2.705   0.097  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.487   0.633   0.681  1.00  0.00           C  
HETATM   40  O   UNL     1      -1.485   0.512   1.352  1.00  0.00           O  
HETATM   41  N   UNL     1      -3.533  -0.238   0.823  1.00  0.00           N  
HETATM   42  C   UNL     1      -3.329  -1.291   1.848  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.355  -2.306   1.307  1.00  0.00           C  
HETATM   44  O   UNL     1      -2.257  -2.483   0.111  1.00  0.00           O  
HETATM   45  C   UNL     1      -4.663  -1.973   2.157  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.601  -0.978   2.791  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.798  -0.793   4.106  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.465  -0.026   2.090  1.00  0.00           C  
HETATM   49  N   UNL     1      -6.722   0.197   4.304  1.00  0.00           N  
HETATM   50  C   UNL     1      -7.150   0.686   3.091  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.700   0.263   0.744  1.00  0.00           C  
HETATM   52  C   UNL     1      -8.058   1.675   2.723  1.00  0.00           C  
HETATM   53  C   UNL     1      -7.596   1.237   0.406  1.00  0.00           C  
HETATM   54  C   UNL     1      -8.274   1.944   1.390  1.00  0.00           C  
HETATM   55  N   UNL     1      -1.586  -3.021   2.174  1.00  0.00           N  
HETATM   56  C   UNL     1      -0.656  -3.997   1.566  1.00  0.00           C  
HETATM   57  C   UNL     1       0.697  -3.352   1.422  1.00  0.00           C  
HETATM   58  O   UNL     1       1.389  -3.152   2.397  1.00  0.00           O  
HETATM   59  C   UNL     1      -1.176  -4.411   0.188  1.00  0.00           C  
HETATM   60  C   UNL     1      -0.363  -5.601  -0.327  1.00  0.00           C  
HETATM   61  C   UNL     1      -0.883  -6.015  -1.705  1.00  0.00           C  
HETATM   62  N   UNL     1      -0.105  -7.155  -2.198  1.00  0.00           N  
HETATM   63  C   UNL     1      -0.391  -7.701  -3.419  1.00  0.00           C  
HETATM   64  N   UNL     1      -1.377  -7.197  -4.160  1.00  0.00           N  
HETATM   65  N   UNL     1       0.317  -8.737  -3.867  1.00  0.00           N1+
HETATM   66  H   UNL     1       8.923   3.839   0.025  1.00  0.00           H  
HETATM   67  H   UNL     1       9.056   2.825  -1.432  1.00  0.00           H  
HETATM   68  H   UNL     1       8.091   4.320  -1.473  1.00  0.00           H  
HETATM   69  H   UNL     1       8.112   0.917  -0.324  1.00  0.00           H  
HETATM   70  H   UNL     1       6.343  -0.428   0.347  1.00  0.00           H  
HETATM   71  H   UNL     1       5.382   2.256   1.434  1.00  0.00           H  
HETATM   72  H   UNL     1       4.631   0.686   1.810  1.00  0.00           H  
HETATM   73  H   UNL     1       7.590   2.811   2.279  1.00  0.00           H  
HETATM   74  H   UNL     1       5.784  -0.945   3.186  1.00  0.00           H  
HETATM   75  H   UNL     1       9.265   2.431   4.044  1.00  0.00           H  
HETATM   76  H   UNL     1       7.459  -1.324   4.951  1.00  0.00           H  
HETATM   77  H   UNL     1       9.202   0.362   5.376  1.00  0.00           H  
HETATM   78  H   UNL     1       3.974  -0.883  -0.239  1.00  0.00           H  
HETATM   79  H   UNL     1       3.399   0.343  -2.827  1.00  0.00           H  
HETATM   80  H   UNL     1       1.278  -1.383  -1.934  1.00  0.00           H  
HETATM   81  H   UNL     1       2.481  -1.684  -3.210  1.00  0.00           H  
HETATM   82  H   UNL     1       2.834  -3.453  -1.667  1.00  0.00           H  
HETATM   83  H   UNL     1       4.100  -2.271  -1.257  1.00  0.00           H  
HETATM   84  H   UNL     1       3.137  -2.863   0.842  1.00  0.00           H  
HETATM   85  H   UNL     1       2.378  -1.303   0.432  1.00  0.00           H  
HETATM   86  H   UNL     1       0.610  -3.149  -0.626  1.00  0.00           H  
HETATM   87  H   UNL     1       0.955   3.556  -0.717  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.333   4.139  -3.250  1.00  0.00           H  
HETATM   89  H   UNL     1       0.863   5.128  -2.365  1.00  0.00           H  
HETATM   90  H   UNL     1       1.265   3.390  -4.716  1.00  0.00           H  
HETATM   91  H   UNL     1       2.375   4.602  -4.008  1.00  0.00           H  
HETATM   92  H   UNL     1       3.471   3.019  -2.747  1.00  0.00           H  
HETATM   93  H   UNL     1       2.726   1.832  -3.851  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.917   4.290  -1.119  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.645   2.452  -2.616  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.332   2.704  -2.104  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.563   4.774  -3.484  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.874   3.850  -4.255  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.652   6.106  -3.580  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.503   4.838  -2.667  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.088   6.423  -1.682  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.774   6.675  -1.170  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.857   4.353  -0.303  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.545   5.277   0.468  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.989   2.984   0.374  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.834   1.333  -1.309  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.471   3.154   1.057  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.659   2.154   0.188  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.344  -0.173   0.296  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.924  -0.844   2.756  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.102  -2.348   1.232  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.496  -2.804   2.843  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.300  -1.343   4.891  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.028   0.508   5.170  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.175  -0.282  -0.027  1.00  0.00           H  
HETATM  116  H   UNL     1      -8.591   2.230   3.481  1.00  0.00           H  
HETATM  117  H   UNL     1      -7.777   1.461  -0.635  1.00  0.00           H  
HETATM  118  H   UNL     1      -8.978   2.712   1.107  1.00  0.00           H  
HETATM  119  H   UNL     1      -1.644  -2.897   3.134  1.00  0.00           H  
HETATM  120  H   UNL     1      -0.577  -4.874   2.208  1.00  0.00           H  
HETATM  121  H   UNL     1      -2.226  -4.695   0.266  1.00  0.00           H  
HETATM  122  H   UNL     1      -1.076  -3.576  -0.504  1.00  0.00           H  
HETATM  123  H   UNL     1       0.686  -5.318  -0.404  1.00  0.00           H  
HETATM  124  H   UNL     1      -0.464  -6.437   0.366  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.933  -6.299  -1.627  1.00  0.00           H  
HETATM  126  H   UNL     1      -0.783  -5.180  -2.398  1.00  0.00           H  
HETATM  127  H   UNL     1       0.613  -7.521  -1.659  1.00  0.00           H  
HETATM  128  H   UNL     1      -1.892  -6.443  -3.833  1.00  0.00           H  
HETATM  129  H   UNL     1      -1.579  -7.585  -5.025  1.00  0.00           H  
HETATM  130  H   UNL     1       0.114  -9.124  -4.733  1.00  0.00           H  
HETATM  131  H   UNL     1       1.034  -9.103  -3.328  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   66   67   68                                       
CONECT    4    5   69    1                                            
CONECT    5    4    6    8   70                                       
CONECT    6    5    7    7   15                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   71   72                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9   12   73                                       
CONECT   11    9   13   13   74                                       
CONECT   12   10   14   14   75                                       
CONECT   13   11   11   14   76                                       
CONECT   14   12   12   13   77                                       
CONECT   15   16   78    6                                            
CONECT   16   15   17   21   79                                       
CONECT   17   16   18   80   81                                       
CONECT   18   17   19   82   83                                       
CONECT   19   18   20   84   85                                       
CONECT   20   19   86   57                                            
CONECT   21   16   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   24   29   21                                            
CONECT   24   23   25   27   87                                       
CONECT   25   24   26   26   36                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   88   89                                       
CONECT   28   27   29   90   91                                       
CONECT   29   23   28   92   93                                       
CONECT   30   31   35   38   94                                       
CONECT   31   30   32   95   96                                       
CONECT   32   31   33   97   98                                       
CONECT   33   32   34   99  100                                       
CONECT   34   33   35  101  102                                       
CONECT   35   30   34  103  104                                       
CONECT   36   37  105   25                                            
CONECT   37   36   38   39  106                                       
CONECT   38   30   37  107  108                                       
CONECT   39   37   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   42  109   39                                            
CONECT   42   41   43   45  110                                       
CONECT   43   42   44   44   55                                       
CONECT   44   43   43                                                 
CONECT   45   42   46  111  112                                       
CONECT   46   45   47   47   48                                       
CONECT   47   46   46   49  113                                       
CONECT   48   46   50   50   51                                       
CONECT   49   47   50  114                                            
CONECT   50   48   48   49   52                                       
CONECT   51   48   53   53  115                                       
CONECT   52   50   54   54  116                                       
CONECT   53   51   51   54  117                                       
CONECT   54   52   52   53  118                                       
CONECT   55   56  119   43                                            
CONECT   56   55   57   59  120                                       
CONECT   57   56   58   58   20                                       
CONECT   58   57   57                                                 
CONECT   59   56   60  121  122                                       
CONECT   60   59   61  123  124                                       
CONECT   61   60   62  125  126                                       
CONECT   62   61   63  127                                            
CONECT   63   62   64   65   65                                       
CONECT   64   63  128  129                                            
CONECT   65   63   63  130  131                                       
CONECT   66    3                                                      
CONECT   67    3                                                      
CONECT   68    3                                                      
CONECT   69    4                                                      
CONECT   70    5                                                      
CONECT   71    8                                                      
CONECT   72    8                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   12                                                      
CONECT   76   13                                                      
CONECT   77   14                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   17                                                      
CONECT   81   17                                                      
CONECT   82   18                                                      
CONECT   83   18                                                      
CONECT   84   19                                                      
CONECT   85   19                                                      
CONECT   86   20                                                      
CONECT   87   24                                                      
CONECT   88   27                                                      
CONECT   89   27                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   30                                                      
CONECT   95   31                                                      
CONECT   96   31                                                      
CONECT   97   32                                                      
CONECT   98   32                                                      
CONECT   99   33                                                      
CONECT  100   33                                                      
CONECT  101   34                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   35                                                      
CONECT  105   36                                                      
CONECT  106   37                                                      
CONECT  107   38                                                      
CONECT  108   38                                                      
CONECT  109   41                                                      
CONECT  110   42                                                      
CONECT  111   45                                                      
CONECT  112   45                                                      
CONECT  113   47                                                      
CONECT  114   49                                                      
CONECT  115   51                                                      
CONECT  116   52                                                      
CONECT  117   53                                                      
CONECT  118   54                                                      
CONECT  119   55                                                      
CONECT  120   56                                                      
CONECT  121   59                                                      
CONECT  122   59                                                      
CONECT  123   60                                                      
CONECT  124   60                                                      
CONECT  125   61                                                      
CONECT  126   61                                                      
CONECT  127   62                                                      
CONECT  128   64                                                      
CONECT  129   64                                                      
CONECT  130   65                                                      
CONECT  131   65                                                      
MASTER        0    0    0    0    0    0    0    0  131    0  131    0
END
