COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       9.232  -1.497   0.142  1.00  0.00           C  
HETATM    2  C   UNL     1       8.348  -0.530   0.932  1.00  0.00           C  
HETATM    3  C   UNL     1       6.353  -1.495  -0.227  1.00  0.00           C  
HETATM    4  C   UNL     1       5.030  -1.203  -0.954  1.00  0.00           C  
HETATM    5  C   UNL     1       4.204  -0.311  -0.048  1.00  0.00           C  
HETATM    6  C   UNL     1       4.967   1.033   0.102  1.00  0.00           C  
HETATM    7  C   UNL     1       3.905   1.920   0.761  1.00  0.00           C  
HETATM    8  C   UNL     1       2.610   1.541  -0.008  1.00  0.00           C  
HETATM    9  C   UNL     1       2.838   0.118  -0.575  1.00  0.00           C  
HETATM   10  C   UNL     1       4.045  -0.972   1.323  1.00  0.00           C  
HETATM   11  C   UNL     1       7.947  -1.176   2.260  1.00  0.00           C  
HETATM   12  C   UNL     1       9.639  -0.853  -1.184  1.00  0.00           C  
HETATM   13  C   UNL     1      10.412   0.439  -0.908  1.00  0.00           C  
HETATM   14  C   UNL     1       9.525   1.406  -0.121  1.00  0.00           C  
HETATM   15  C   UNL     1       9.122   0.761   1.206  1.00  0.00           C  
HETATM   16  C   UNL     1       8.240   1.729   1.998  1.00  0.00           C  
HETATM   17  C   UNL     1       6.976   2.044   1.195  1.00  0.00           C  
HETATM   18  C   UNL     1       6.203   0.751   0.934  1.00  0.00           C  
HETATM   19  C   UNL     1       7.091  -0.207   0.123  1.00  0.00           C  
HETATM   20  C   UNL     1       1.752  -0.834  -0.070  1.00  0.00           C  
HETATM   21  C   UNL     1       2.016  -2.241  -0.610  1.00  0.00           C  
HETATM   22  C   UNL     1       0.384  -0.350  -0.553  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.712  -1.229   0.053  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.059  -0.752  -0.423  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.180  -1.380  -0.015  1.00  0.00           N  
HETATM   26  O   UNL     1      -2.136   0.198  -1.174  1.00  0.00           O  
HETATM   27  O   UNL     1      10.792   1.041  -2.147  1.00  0.00           O  
HETATM   28  O   UNL     1       7.339   2.643  -0.051  1.00  0.00           O  
HETATM   29  O   UNL     1       5.292  -0.533  -2.189  1.00  0.00           O  
HETATM   30  H   UNL     1      10.125  -1.730   0.723  1.00  0.00           H  
HETATM   31  H   UNL     1       8.679  -2.416  -0.056  1.00  0.00           H  
HETATM   32  H   UNL     1       6.142  -2.045   0.690  1.00  0.00           H  
HETATM   33  H   UNL     1       6.986  -2.105  -0.871  1.00  0.00           H  
HETATM   34  H   UNL     1       4.497  -2.135  -1.143  1.00  0.00           H  
HETATM   35  H   UNL     1       5.238   1.429  -0.877  1.00  0.00           H  
HETATM   36  H   UNL     1       3.808   1.683   1.820  1.00  0.00           H  
HETATM   37  H   UNL     1       4.144   2.974   0.624  1.00  0.00           H  
HETATM   38  H   UNL     1       1.758   1.542   0.671  1.00  0.00           H  
HETATM   39  H   UNL     1       2.439   2.246  -0.822  1.00  0.00           H  
HETATM   40  H   UNL     1       2.842   0.141  -1.664  1.00  0.00           H  
HETATM   41  H   UNL     1       5.030  -1.191   1.736  1.00  0.00           H  
HETATM   42  H   UNL     1       3.512  -0.296   1.992  1.00  0.00           H  
HETATM   43  H   UNL     1       3.481  -1.898   1.217  1.00  0.00           H  
HETATM   44  H   UNL     1       8.843  -1.404   2.838  1.00  0.00           H  
HETATM   45  H   UNL     1       7.317  -0.487   2.823  1.00  0.00           H  
HETATM   46  H   UNL     1       7.396  -2.095   2.065  1.00  0.00           H  
HETATM   47  H   UNL     1      10.271  -1.542  -1.743  1.00  0.00           H  
HETATM   48  H   UNL     1       8.747  -0.624  -1.766  1.00  0.00           H  
HETATM   49  H   UNL     1      11.305   0.210  -0.326  1.00  0.00           H  
HETATM   50  H   UNL     1      10.074   2.326   0.074  1.00  0.00           H  
HETATM   51  H   UNL     1       8.630   1.632  -0.702  1.00  0.00           H  
HETATM   52  H   UNL     1      10.016   0.530   1.784  1.00  0.00           H  
HETATM   53  H   UNL     1       7.963   1.273   2.948  1.00  0.00           H  
HETATM   54  H   UNL     1       8.791   2.651   2.185  1.00  0.00           H  
HETATM   55  H   UNL     1       6.350   2.734   1.761  1.00  0.00           H  
HETATM   56  H   UNL     1       5.914   0.297   1.882  1.00  0.00           H  
HETATM   57  H   UNL     1       7.394   0.288  -0.799  1.00  0.00           H  
HETATM   58  H   UNL     1       1.766  -0.855   1.020  1.00  0.00           H  
HETATM   59  H   UNL     1       2.991  -2.586  -0.265  1.00  0.00           H  
HETATM   60  H   UNL     1       1.242  -2.919  -0.250  1.00  0.00           H  
HETATM   61  H   UNL     1       2.003  -2.220  -1.700  1.00  0.00           H  
HETATM   62  H   UNL     1       0.234   0.684  -0.243  1.00  0.00           H  
HETATM   63  H   UNL     1       0.340  -0.413  -1.641  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.562  -2.263  -0.257  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.668  -1.165   1.141  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.118  -2.139   0.586  1.00  0.00           H  
HETATM   67  H   UNL     1      11.357   0.482  -2.699  1.00  0.00           H  
HETATM   68  H   UNL     1       7.832   3.469   0.039  1.00  0.00           H  
HETATM   69  H   UNL     1       5.817  -1.051  -2.814  1.00  0.00           H  
HETATM   70  C   UNL     1      -4.490  -0.916  -0.478  1.00  0.00           C  
HETATM   71  C   UNL     1      -5.586  -1.795   0.129  1.00  0.00           C  
HETATM   72  C   UNL     1      -6.954  -1.311  -0.355  1.00  0.00           C  
HETATM   73  N   UNL     1      -8.006  -2.154   0.228  1.00  0.00           N1+
HETATM   74  C   UNL     1      -9.320  -1.689  -0.237  1.00  0.00           C  
HETATM   75  C   UNL     1      -7.804  -3.548  -0.191  1.00  0.00           C  
HETATM   76  C   UNL     1      -7.946  -2.069   1.693  1.00  0.00           C  
HETATM   77  C   UNL     1      -9.497  -0.214   0.127  1.00  0.00           C  
HETATM   78  C   UNL     1     -10.782   0.318  -0.511  1.00  0.00           C  
HETATM   79  O   UNL     1      -9.579  -0.081   1.548  1.00  0.00           O  
HETATM   80  S   UNL     1     -10.916   2.101  -0.203  1.00  0.00           S  
HETATM   81  O   UNL     1      -9.914   2.808  -0.921  1.00  0.00           O  
HETATM   82  O   UNL     1     -12.218   2.506  -0.878  1.00  0.00           O  
HETATM   83  O   UNL     1     -11.144   2.353   1.177  1.00  0.00           O  
HETATM   84  H   UNL     1      -4.640   0.118  -0.168  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.534  -0.979  -1.565  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.436  -2.829  -0.182  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.542  -1.732   1.216  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.104  -0.277  -0.045  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.998  -1.374  -1.442  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.385  -1.807  -1.319  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.103  -2.278   0.240  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.877  -3.926   0.241  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.640  -4.156   0.155  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.745  -3.596  -1.278  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.903  -1.023   1.995  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.835  -2.534   2.120  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.057  -2.588   2.051  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.644   0.356  -0.242  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.757   0.136  -1.585  1.00  0.00           H  
HETATM  100  H   UNL     1     -11.641  -0.191  -0.075  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.317  -0.563   1.946  1.00  0.00           H  
HETATM  102  H   UNL     1     -12.428   3.446  -0.797  1.00  0.00           H  
CONECT    1   12    2   30   31                                       
CONECT    2   19   15    1   11                                       
CONECT    3    4   19   32   33                                       
CONECT    4   29    5    3   34                                       
CONECT    5    9    6    4   10                                       
CONECT    6    7    5   18   35                                       
CONECT    7    8    6   36   37                                       
CONECT    8    9    7   38   39                                       
CONECT    9    8   20    5   40                                       
CONECT   10    5   41   42   43                                       
CONECT   11    2   44   45   46                                       
CONECT   12   13    1   47   48                                       
CONECT   13   27   14   12   49                                       
CONECT   14   13   15   50   51                                       
CONECT   15   14   16    2   52                                       
CONECT   16   17   15   53   54                                       
CONECT   17   28   18   16   55                                       
CONECT   18    6   17   19   56                                       
CONECT   19    3   18    2   57                                       
CONECT   20   22   21    9   58                                       
CONECT   21   20   59   60   61                                       
CONECT   22   23   20   62   63                                       
CONECT   23   24   22   64   65                                       
CONECT   24   25   26   26   23                                       
CONECT   25   24   66   70                                            
CONECT   26   24   24                                                 
CONECT   27   13   67                                                 
CONECT   28   17   68                                                 
CONECT   29    4   69                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   25   71   84   85                                       
CONECT   71   70   72   86   87                                       
CONECT   72   71   73   88   89                                       
CONECT   73   72   74   75   76                                       
CONECT   74   73   77   90   91                                       
CONECT   75   73   92   93   94                                       
CONECT   76   73   95   96   97                                       
CONECT   77   74   78   79   98                                       
CONECT   78   77   80   99  100                                       
CONECT   79   77  101                                                 
CONECT   80   78   81   81   82                                       
CONECT   80   83   83                                                 
CONECT   81   80   80                                                 
CONECT   82   80  102                                                 
CONECT   83   80   80                                                 
CONECT   84   70                                                      
CONECT   85   70                                                      
CONECT   86   71                                                      
CONECT   87   71                                                      
CONECT   88   72                                                      
CONECT   89   72                                                      
CONECT   90   74                                                      
CONECT   91   74                                                      
CONECT   92   75                                                      
CONECT   93   75                                                      
CONECT   94   75                                                      
CONECT   95   76                                                      
CONECT   96   76                                                      
CONECT   97   76                                                      
CONECT   98   77                                                      
CONECT   99   78                                                      
CONECT  100   78                                                      
CONECT  101   79                                                      
CONECT  102   82                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
