COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.840   1.901   2.166  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.353   0.663   3.343  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.707  -1.513   2.320  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.402  -3.987  -0.664  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.286  -4.059   0.592  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.376  -3.019   0.623  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.666  -2.423   1.010  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.082  -0.748   0.328  1.00  0.00           C  
HETATM    9  C   UNL     1       3.761   5.945   2.389  1.00  0.00           C  
HETATM   10  C   UNL     1       3.041   6.181   3.718  1.00  0.00           C  
HETATM   11  C   UNL     1       3.734   5.381   4.824  1.00  0.00           C  
HETATM   12  C   UNL     1       3.083   7.671   4.064  1.00  0.00           C  
HETATM   13  C   UNL     1       1.446   4.455   3.301  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.037   2.631   2.963  1.00  0.00           C  
HETATM   15  C   UNL     1       0.622   0.559   1.951  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.477  -0.072   2.539  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.135   2.007   3.545  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.037  -3.667   1.399  1.00  0.00           C  
HETATM   19  C   UNL     1       0.794  -4.278   0.258  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.663  -3.378   0.980  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.375  -1.102   0.680  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.086  -1.706   0.301  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.190  -0.114  -0.352  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.202   0.940  -0.441  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.101   1.092  -1.460  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.939   2.168  -1.288  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.736   2.874  -0.169  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.157  -4.148   1.685  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.676  -5.084  -1.660  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.393  -2.231  -2.031  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.389  -0.861  -2.579  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.312  -0.007  -2.325  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.310   1.268  -2.842  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.377   1.708  -3.619  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.451   0.861  -3.874  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.460  -0.416  -3.360  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.779   4.001  -3.460  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.033   6.255  -3.217  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.799   6.451  -1.908  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.019   7.569  -4.001  1.00  0.00           C  
HETATM   41  C   UNL     1       1.404   5.830  -2.909  1.00  0.00           C  
HETATM   42  C   UNL     1       2.027  -3.481  -0.083  1.00  0.00           C  
HETATM   43  C   UNL     1       2.838  -2.997   0.927  1.00  0.00           C  
HETATM   44  C   UNL     1       3.971  -2.265   0.615  1.00  0.00           C  
HETATM   45  C   UNL     1       4.292  -2.018  -0.717  1.00  0.00           C  
HETATM   46  C   UNL     1       3.476  -2.506  -1.724  1.00  0.00           C  
HETATM   47  C   UNL     1       2.348  -3.240  -1.406  1.00  0.00           C  
HETATM   48  C   UNL     1       6.580  -1.959  -1.024  1.00  0.00           C  
HETATM   49  C   UNL     1       7.803  -1.278  -1.454  1.00  0.00           C  
HETATM   50  C   UNL     1       9.050  -1.837  -1.494  1.00  0.00           C  
HETATM   51  C   UNL     1      10.019  -0.971  -1.940  1.00  0.00           C  
HETATM   52  C   UNL     1       9.584   0.255  -2.256  1.00  0.00           C  
HETATM   53  C   UNL     1       4.378  -2.079   2.951  1.00  0.00           C  
HETATM   54  C   UNL     1       0.095  -4.407   2.705  1.00  0.00           C  
HETATM   55  N   UNL     1       0.187   3.990   3.179  1.00  0.00           N  
HETATM   56  N   UNL     1       0.138  -2.220   1.543  1.00  0.00           N  
HETATM   57  N   UNL     1      -0.359  -2.658  -1.279  1.00  0.00           N  
HETATM   58  N   UNL     1      -1.371   3.001  -4.142  1.00  0.00           N  
HETATM   59  O   UNL     1       1.659   5.750   3.603  1.00  0.00           O  
HETATM   60  O   UNL     1       2.388   3.706   3.138  1.00  0.00           O  
HETATM   61  O   UNL     1      -1.659  -2.063   2.840  1.00  0.00           O  
HETATM   62  O   UNL     1      -5.355  -0.161   0.707  1.00  0.00           O  
HETATM   63  O   UNL     1      -6.101  -0.948  -1.233  1.00  0.00           O  
HETATM   64  O   UNL     1      -5.932  -2.775   1.360  1.00  0.00           O  
HETATM   65  O   UNL     1      -0.419  -6.231  -1.381  1.00  0.00           O  
HETATM   66  O   UNL     1      -1.208  -4.787  -2.856  1.00  0.00           O  
HETATM   67  O   UNL     1      -2.328  -2.974  -2.258  1.00  0.00           O  
HETATM   68  O   UNL     1      -0.331   3.797  -2.349  1.00  0.00           O  
HETATM   69  O   UNL     1      -0.683   5.226  -4.009  1.00  0.00           O  
HETATM   70  O   UNL     1       5.404  -1.299  -1.028  1.00  0.00           O  
HETATM   71  O   UNL     1       6.626  -3.119  -0.662  1.00  0.00           O  
HETATM   72  O   UNL     1       4.769  -1.788   1.608  1.00  0.00           O  
HETATM   73  O   UNL     1      -0.443  -5.480   2.849  1.00  0.00           O  
HETATM   74  O   UNL     1       0.810  -3.875   3.709  1.00  0.00           O  
HETATM   75  S   UNL     1      -7.461   2.208   0.749  1.00  0.00           S  
HETATM   76  S   UNL     1       7.901   0.387  -2.010  1.00  0.00           S  
HETATM   77  H   UNL     1       1.689   2.390   1.712  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.204   0.178   3.799  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.651  -5.062   0.812  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.853   0.277   0.075  1.00  0.00           H  
HETATM   81  H   UNL     1       3.731   4.883   2.144  1.00  0.00           H  
HETATM   82  H   UNL     1       3.268   6.514   1.602  1.00  0.00           H  
HETATM   83  H   UNL     1       4.799   6.268   2.476  1.00  0.00           H  
HETATM   84  H   UNL     1       4.771   5.705   4.910  1.00  0.00           H  
HETATM   85  H   UNL     1       3.220   5.550   5.770  1.00  0.00           H  
HETATM   86  H   UNL     1       3.704   4.320   4.577  1.00  0.00           H  
HETATM   87  H   UNL     1       2.589   8.241   3.276  1.00  0.00           H  
HETATM   88  H   UNL     1       2.570   7.839   5.010  1.00  0.00           H  
HETATM   89  H   UNL     1       4.120   7.994   4.150  1.00  0.00           H  
HETATM   90  H   UNL     1       1.300  -0.005   1.328  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.814   2.576   4.164  1.00  0.00           H  
HETATM   92  H   UNL     1       0.999  -5.340   0.387  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.886  -4.404   1.235  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.079  -1.429   0.027  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.148   0.433  -2.314  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.705   2.425  -2.004  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.305   3.746   0.116  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.205  -4.292   1.946  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.907  -4.770   0.826  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.530  -4.428   2.532  1.00  0.00           H  
HETATM  101  H   UNL     1       0.516  -0.347  -1.722  1.00  0.00           H  
HETATM  102  H   UNL     1       0.522   1.929  -2.645  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.278   1.206  -4.477  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.292  -1.074  -3.562  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.311   7.223  -1.313  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.823   6.754  -2.127  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.809   5.515  -1.349  1.00  0.00           H  
HETATM  108  H   UNL     1       0.527   7.430  -4.934  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.042   7.872  -4.221  1.00  0.00           H  
HETATM  110  H   UNL     1       0.469   8.342  -3.406  1.00  0.00           H  
HETATM  111  H   UNL     1       1.394   4.893  -2.351  1.00  0.00           H  
HETATM  112  H   UNL     1       1.950   5.690  -3.842  1.00  0.00           H  
HETATM  113  H   UNL     1       1.892   6.602  -2.315  1.00  0.00           H  
HETATM  114  H   UNL     1       2.586  -3.190   1.960  1.00  0.00           H  
HETATM  115  H   UNL     1       3.722  -2.316  -2.759  1.00  0.00           H  
HETATM  116  H   UNL     1       1.715  -3.624  -2.192  1.00  0.00           H  
HETATM  117  H   UNL     1       9.253  -2.857  -1.203  1.00  0.00           H  
HETATM  118  H   UNL     1      11.057  -1.258  -2.030  1.00  0.00           H  
HETATM  119  H   UNL     1      10.214   1.053  -2.621  1.00  0.00           H  
HETATM  120  H   UNL     1       3.391  -1.659   3.141  1.00  0.00           H  
HETATM  121  H   UNL     1       4.347  -3.159   3.094  1.00  0.00           H  
HETATM  122  H   UNL     1       5.099  -1.642   3.642  1.00  0.00           H  
HETATM  123  H   UNL     1      -0.564   4.601   3.241  1.00  0.00           H  
HETATM  124  H   UNL     1       0.862  -1.770   1.080  1.00  0.00           H  
HETATM  125  H   UNL     1       0.412  -2.086  -1.144  1.00  0.00           H  
HETATM  126  H   UNL     1      -1.793   3.180  -4.997  1.00  0.00           H  
HETATM  127  H   UNL     1      -1.366  -5.524  -3.461  1.00  0.00           H  
HETATM  128  H   UNL     1       0.866  -4.387   4.527  1.00  0.00           H  
CONECT    1   14   15   15   77                                       
CONECT    2   17   16   16   78                                       
CONECT    3   16   56   61   61                                       
CONECT    4    5   57   19   29                                       
CONECT    5    6   18    4   79                                       
CONECT    6   22   22   20    5                                       
CONECT    7   21   64   20   20                                       
CONECT    8   21   21   22   80                                       
CONECT    9   10   81   82   83                                       
CONECT   10    9   12   59   11                                       
CONECT   11   10   84   85   86                                       
CONECT   12   10   87   88   89                                       
CONECT   13   55   59   60   60                                       
CONECT   14   55   17   17    1                                       
CONECT   15    1    1   16   90                                       
CONECT   16    2    2   15    3                                       
CONECT   17   14   14    2   91                                       
CONECT   18    5   56   19   54                                       
CONECT   19   18    4   42   92                                       
CONECT   20    7    7    6   93                                       
CONECT   21   62    8    8    7                                       
CONECT   22    8    6    6   94                                       
CONECT   23   24   62   63   63                                       
CONECT   24   75   25   25   23                                       
CONECT   25   26   24   24   95                                       
CONECT   26   27   27   25   96                                       
CONECT   27   26   26   75   97                                       
CONECT   28   64   98   99  100                                       
CONECT   29    4   65   65   66                                       
CONECT   30   31   57   67   67                                       
CONECT   31   32   32   36   30                                       
CONECT   32   33   31   31  101                                       
CONECT   33   34   34   32  102                                       
CONECT   34   58   33   33   35                                       
CONECT   35   34   36   36  103                                       
CONECT   36   35   35   31  104                                       
CONECT   37   68   68   58   69                                       
CONECT   38   40   39   69   41                                       
CONECT   39   38  105  106  107                                       
CONECT   40   38  108  109  110                                       
CONECT   41   38  111  112  113                                       
CONECT   42   43   19   47   47                                       
CONECT   43   44   44   42  114                                       
CONECT   44   72   43   43   45                                       
CONECT   45   44   70   46   46                                       
CONECT   46   45   45   47  115                                       
CONECT   47   42   42   46  116                                       
CONECT   48   71   71   49   70                                       
CONECT   49   76   48   50   50                                       
CONECT   50   49   49   51  117                                       
CONECT   51   52   52   50  118                                       
CONECT   52   76   51   51  119                                       
CONECT   53   72  120  121  122                                       
CONECT   54   18   73   73   74                                       
CONECT   55   13   14  123                                            
CONECT   56    3   18  124                                            
CONECT   57   30    4  125                                            
CONECT   58   37   34  126                                            
CONECT   59   10   13                                                 
CONECT   60   13   13                                                 
CONECT   61    3    3                                                 
CONECT   62   23   21                                                 
CONECT   63   23   23                                                 
CONECT   64   28    7                                                 
CONECT   65   29   29                                                 
CONECT   66   29  127                                                 
CONECT   67   30   30                                                 
CONECT   68   37   37                                                 
CONECT   69   37   38                                                 
CONECT   70   48   45                                                 
CONECT   71   48   48                                                 
CONECT   72   53   44                                                 
CONECT   73   54   54                                                 
CONECT   74   54  128                                                 
CONECT   75   27   24                                                 
CONECT   76   52   49                                                 
CONECT   77    1                                                      
CONECT   78    2                                                      
CONECT   79    5                                                      
CONECT   80    8                                                      
CONECT   81    9                                                      
CONECT   82    9                                                      
CONECT   83    9                                                      
CONECT   84   11                                                      
CONECT   85   11                                                      
CONECT   86   11                                                      
CONECT   87   12                                                      
CONECT   88   12                                                      
CONECT   89   12                                                      
CONECT   90   15                                                      
CONECT   91   17                                                      
CONECT   92   19                                                      
CONECT   93   20                                                      
CONECT   94   22                                                      
CONECT   95   25                                                      
CONECT   96   26                                                      
CONECT   97   27                                                      
CONECT   98   28                                                      
CONECT   99   28                                                      
CONECT  100   28                                                      
CONECT  101   32                                                      
CONECT  102   33                                                      
CONECT  103   35                                                      
CONECT  104   36                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   39                                                      
CONECT  108   40                                                      
CONECT  109   40                                                      
CONECT  110   40                                                      
CONECT  111   41                                                      
CONECT  112   41                                                      
CONECT  113   41                                                      
CONECT  114   43                                                      
CONECT  115   46                                                      
CONECT  116   47                                                      
CONECT  117   50                                                      
CONECT  118   51                                                      
CONECT  119   52                                                      
CONECT  120   53                                                      
CONECT  121   53                                                      
CONECT  122   53                                                      
CONECT  123   55                                                      
CONECT  124   56                                                      
CONECT  125   57                                                      
CONECT  126   58                                                      
CONECT  127   66                                                      
CONECT  128   74                                                      
MASTER        0    0    0    0    0    0    0    0  128    0  128    0
END
