COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.846  -8.555   1.837  1.00  0.00           N  
HETATM    2  C   UNL     1       8.839  -7.764   2.202  1.00  0.00           C  
HETATM    3  N   UNL     1       8.931  -6.514   1.800  1.00  0.00           N  
HETATM    4  C   UNL     1       8.010  -5.991   0.998  1.00  0.00           C  
HETATM    5  C   UNL     1       6.932  -6.792   0.581  1.00  0.00           C  
HETATM    6  C   UNL     1       6.878  -8.120   1.037  1.00  0.00           C  
HETATM    7  N   UNL     1       5.842  -8.956   0.660  1.00  0.00           N  
HETATM    8  N   UNL     1       6.152  -6.026  -0.218  1.00  0.00           N  
HETATM    9  C   UNL     1       6.668  -4.836  -0.317  1.00  0.00           C  
HETATM   10  N   UNL     1       7.816  -4.764   0.416  1.00  0.00           N  
HETATM   11  C   UNL     1       8.682  -3.591   0.556  1.00  0.00           C  
HETATM   12  C   UNL     1       9.845  -3.646  -0.468  1.00  0.00           C  
HETATM   13  O   UNL     1      10.945  -4.398   0.049  1.00  0.00           O  
HETATM   14  C   UNL     1      10.218  -2.151  -0.615  1.00  0.00           C  
HETATM   15  O   UNL     1      11.339  -1.831   0.212  1.00  0.00           O  
HETATM   16  P   UNL     1      12.715  -1.231  -0.369  1.00  0.00           P  
HETATM   17  O   UNL     1      13.237  -2.127  -1.425  1.00  0.00           O  
HETATM   18  O   UNL     1      12.443   0.230  -0.989  1.00  0.00           O  
HETATM   19  O   UNL     1      13.795  -1.117   0.820  1.00  0.00           O  
HETATM   20  C   UNL     1       8.962  -1.399  -0.135  1.00  0.00           C  
HETATM   21  O   UNL     1       7.972  -2.387   0.195  1.00  0.00           O  
HETATM   22  C   UNL     1       8.439  -0.492  -1.252  1.00  0.00           C  
HETATM   23  O   UNL     1       7.346   0.286  -0.761  1.00  0.00           O  
HETATM   24  P   UNL     1       6.552   1.352  -1.669  1.00  0.00           P  
HETATM   25  O   UNL     1       7.511   2.322  -2.244  1.00  0.00           O  
HETATM   26  O   UNL     1       5.790   0.581  -2.859  1.00  0.00           O  
HETATM   27  O   UNL     1       5.477   2.135  -0.762  1.00  0.00           O  
HETATM   28  P   UNL     1       4.615   3.480  -0.959  1.00  0.00           P  
HETATM   29  O   UNL     1       5.451   4.511  -1.613  1.00  0.00           O  
HETATM   30  O   UNL     1       3.333   3.165  -1.882  1.00  0.00           O  
HETATM   31  O   UNL     1       4.123   4.018   0.477  1.00  0.00           O  
HETATM   32  C   UNL     1       3.108   5.459   2.130  1.00  0.00           C  
HETATM   33  C   UNL     1       3.424   5.253   0.647  1.00  0.00           C  
HETATM   34  C   UNL     1       2.237   4.305   2.632  1.00  0.00           C  
HETATM   35  C   UNL     1       4.413   5.498   2.928  1.00  0.00           C  
HETATM   36  C   UNL     1       2.359   6.780   2.313  1.00  0.00           C  
HETATM   37  O   UNL     1       3.220   7.868   1.970  1.00  0.00           O  
HETATM   38  C   UNL     1       1.146   6.798   1.418  1.00  0.00           C  
HETATM   39  O   UNL     1       1.099   7.562   0.477  1.00  0.00           O  
HETATM   40  N   UNL     1       0.116   5.966   1.663  1.00  0.00           N  
HETATM   41  C   UNL     1      -1.020   5.914   0.739  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.044   4.896   1.245  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.212   4.843   0.295  1.00  0.00           C  
HETATM   44  O   UNL     1      -3.224   5.550  -0.691  1.00  0.00           O  
HETATM   45  N   UNL     1      -4.243   4.011   0.540  1.00  0.00           N  
HETATM   46  C   UNL     1      -5.379   3.959  -0.384  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.403   2.941   0.122  1.00  0.00           C  
HETATM   48  S   UNL     1      -7.809   2.877  -1.022  1.00  0.00           S  
HETATM   49  C   UNL     1     -16.524  -2.276  -1.551  1.00  0.00           C  
HETATM   50  C   UNL     1     -17.426  -3.305  -0.922  1.00  0.00           C  
HETATM   51  C   UNL     1     -18.417  -3.068   0.130  1.00  0.00           C  
HETATM   52  C   UNL     1     -19.011  -4.316   0.393  1.00  0.00           C  
HETATM   53  C   UNL     1     -18.828  -1.938   0.840  1.00  0.00           C  
HETATM   54  C   UNL     1     -17.479  -4.612  -1.224  1.00  0.00           C  
HETATM   55  N   UNL     1     -18.416  -5.233  -0.444  1.00  0.00           N  
HETATM   56  C   UNL     1     -20.005  -4.407   1.362  1.00  0.00           C  
HETATM   57  C   UNL     1     -19.806  -2.050   1.787  1.00  0.00           C  
HETATM   58  C   UNL     1     -20.396  -3.280   2.050  1.00  0.00           C  
HETATM   59  C   UNL     1      -8.895   1.638  -0.264  1.00  0.00           C  
HETATM   60  C   UNL     1     -13.222  -0.783  -0.716  1.00  0.00           C  
HETATM   61  O   UNL     1     -12.895  -1.325   0.318  1.00  0.00           O  
HETATM   62  N   UNL     1     -14.392  -1.102  -1.303  1.00  0.00           N  
HETATM   63  C   UNL     1     -15.270  -2.102  -0.691  1.00  0.00           C  
HETATM   64  C   UNL     1     -10.149   1.465  -1.125  1.00  0.00           C  
HETATM   65  C   UNL     1     -11.066   0.420  -0.486  1.00  0.00           C  
HETATM   66  C   UNL     1     -12.319   0.247  -1.346  1.00  0.00           C  
HETATM   67  H   UNL     1       9.604  -8.158   2.854  1.00  0.00           H  
HETATM   68  H   UNL     1       5.816  -9.871   0.980  1.00  0.00           H  
HETATM   69  H   UNL     1       5.142  -8.627   0.075  1.00  0.00           H  
HETATM   70  H   UNL     1       6.250  -4.024  -0.894  1.00  0.00           H  
HETATM   71  H   UNL     1       9.070  -3.521   1.572  1.00  0.00           H  
HETATM   72  H   UNL     1       9.507  -4.058  -1.419  1.00  0.00           H  
HETATM   73  H   UNL     1      10.733  -5.321   0.242  1.00  0.00           H  
HETATM   74  H   UNL     1      10.434  -1.912  -1.656  1.00  0.00           H  
HETATM   75  H   UNL     1      12.099   0.870  -0.352  1.00  0.00           H  
HETATM   76  H   UNL     1      14.650  -0.762   0.541  1.00  0.00           H  
HETATM   77  H   UNL     1       9.200  -0.804   0.747  1.00  0.00           H  
HETATM   78  H   UNL     1       9.238   0.171  -1.584  1.00  0.00           H  
HETATM   79  H   UNL     1       8.103  -1.104  -2.089  1.00  0.00           H  
HETATM   80  H   UNL     1       5.144  -0.071  -2.555  1.00  0.00           H  
HETATM   81  H   UNL     1       2.739   2.497  -1.514  1.00  0.00           H  
HETATM   82  H   UNL     1       4.044   6.075   0.290  1.00  0.00           H  
HETATM   83  H   UNL     1       2.494   5.225   0.078  1.00  0.00           H  
HETATM   84  H   UNL     1       2.812   3.379   2.608  1.00  0.00           H  
HETATM   85  H   UNL     1       1.918   4.509   3.654  1.00  0.00           H  
HETATM   86  H   UNL     1       1.361   4.206   1.990  1.00  0.00           H  
HETATM   87  H   UNL     1       5.006   6.356   2.613  1.00  0.00           H  
HETATM   88  H   UNL     1       4.186   5.584   3.991  1.00  0.00           H  
HETATM   89  H   UNL     1       4.975   4.581   2.750  1.00  0.00           H  
HETATM   90  H   UNL     1       2.045   6.879   3.352  1.00  0.00           H  
HETATM   91  H   UNL     1       3.539   7.844   1.057  1.00  0.00           H  
HETATM   92  H   UNL     1       0.125   5.401   2.451  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.485   6.898   0.679  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.671   5.617  -0.250  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.579   3.912   1.305  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.394   5.194   2.234  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.233   3.446   1.328  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.844   4.943  -0.444  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.029   3.661  -1.373  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.938   1.957   0.182  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.752   3.239   1.111  1.00  0.00           H  
HETATM  102  H   UNL     1     -16.236  -2.606  -2.550  1.00  0.00           H  
HETATM  103  H   UNL     1     -17.051  -1.324  -1.621  1.00  0.00           H  
HETATM  104  H   UNL     1     -18.374  -0.979   0.641  1.00  0.00           H  
HETATM  105  H   UNL     1     -16.870  -5.101  -1.969  1.00  0.00           H  
HETATM  106  H   UNL     1     -18.631  -6.179  -0.478  1.00  0.00           H  
HETATM  107  H   UNL     1     -20.470  -5.359   1.574  1.00  0.00           H  
HETATM  108  H   UNL     1     -20.123  -1.176   2.336  1.00  0.00           H  
HETATM  109  H   UNL     1     -21.168  -3.352   2.802  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.368   0.687  -0.195  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.182   1.968   0.734  1.00  0.00           H  
HETATM  112  H   UNL     1     -14.654  -0.668  -2.131  1.00  0.00           H  
HETATM  113  H   UNL     1     -15.557  -1.772   0.307  1.00  0.00           H  
HETATM  114  H   UNL     1     -14.743  -3.054  -0.622  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.676   2.417  -1.194  1.00  0.00           H  
HETATM  116  H   UNL     1      -9.862   1.135  -2.123  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.538  -0.532  -0.416  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.352   0.750   0.513  1.00  0.00           H  
HETATM  119  H   UNL     1     -12.032  -0.083  -2.344  1.00  0.00           H  
HETATM  120  H   UNL     1     -12.846   1.198  -1.415  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   67                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   68   69                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   70                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   21   71                                       
CONECT   12   11   13   14   72                                       
CONECT   13   12   73                                                 
CONECT   14   12   15   20   74                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   18                                       
CONECT   16   19                                                      
CONECT   17   16   16                                                 
CONECT   18   16   75                                                 
CONECT   19   16   76                                                 
CONECT   20   14   21   22   77                                       
CONECT   21   11   20                                                 
CONECT   22   20   23   78   79                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   80                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   81                                                 
CONECT   31   28   33                                                 
CONECT   32   33   34   35   36                                       
CONECT   33   31   32   82   83                                       
CONECT   34   32   84   85   86                                       
CONECT   35   32   87   88   89                                       
CONECT   36   32   37   38   90                                       
CONECT   37   36   91                                                 
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   92                                            
CONECT   41   40   42   93   94                                       
CONECT   42   41   43   95   96                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   97                                            
CONECT   46   45   47   98   99                                       
CONECT   47   46   48  100  101                                       
CONECT   48   47   59                                                 
CONECT   49   50   63  102  103                                       
CONECT   50   49   51   54   54                                       
CONECT   51   50   52   52   53                                       
CONECT   52   51   51   55   56                                       
CONECT   53   51   57   57  104                                       
CONECT   54   50   50   55  105                                       
CONECT   55   52   54  106                                            
CONECT   56   52   58   58  107                                       
CONECT   57   53   53   58  108                                       
CONECT   58   56   56   57  109                                       
CONECT   59   48   64  110  111                                       
CONECT   60   61   61   62   66                                       
CONECT   61   60   60                                                 
CONECT   62   60   63  112                                            
CONECT   63   49   62  113  114                                       
CONECT   64   59   65  115  116                                       
CONECT   65   64   66  117  118                                       
CONECT   66   60   65  119  120                                       
CONECT   67    2                                                      
CONECT   68    7                                                      
CONECT   69    7                                                      
CONECT   70    9                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   26                                                      
CONECT   81   30                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   42                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
CONECT   99   46                                                      
CONECT  100   47                                                      
CONECT  101   47                                                      
CONECT  102   49                                                      
CONECT  103   49                                                      
CONECT  104   53                                                      
CONECT  105   54                                                      
CONECT  106   55                                                      
CONECT  107   56                                                      
CONECT  108   57                                                      
CONECT  109   58                                                      
CONECT  110   59                                                      
CONECT  111   59                                                      
CONECT  112   62                                                      
CONECT  113   63                                                      
CONECT  114   63                                                      
CONECT  115   64                                                      
CONECT  116   64                                                      
CONECT  117   65                                                      
CONECT  118   65                                                      
CONECT  119   66                                                      
CONECT  120   66                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
