COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.666  -1.560   0.332  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.551  -2.845   0.497  1.00  0.00           C  
HETATM    3  C   UNL     1     -18.431   2.553   0.522  1.00  0.00           C  
HETATM    4  C   UNL     1     -16.296   1.264   0.678  1.00  0.00           C  
HETATM    5  C   UNL     1     -14.936   1.016   0.022  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.801  -0.272   0.177  1.00  0.00           C  
HETATM    7  C   UNL     1     -19.206   3.593  -0.289  1.00  0.00           C  
HETATM    8  C   UNL     1     -21.341   4.881  -0.444  1.00  0.00           C  
HETATM    9  C   UNL     1     -24.836   6.417   0.057  1.00  0.00           C  
HETATM   10  C   UNL     1     -23.476   6.169  -0.599  1.00  0.00           C  
HETATM   11  C   UNL     1     -22.701   5.129   0.212  1.00  0.00           C  
HETATM   12  N   UNL     1       7.145   8.761  -2.382  1.00  0.00           N  
HETATM   13  C   UNL     1       8.038   7.909  -2.852  1.00  0.00           C  
HETATM   14  N   UNL     1       8.250   6.732  -2.302  1.00  0.00           N  
HETATM   15  C   UNL     1       7.561   6.351  -1.231  1.00  0.00           C  
HETATM   16  C   UNL     1       6.599   7.222  -0.692  1.00  0.00           C  
HETATM   17  C   UNL     1       6.408   8.467  -1.316  1.00  0.00           C  
HETATM   18  N   UNL     1       5.475   9.366  -0.831  1.00  0.00           N  
HETATM   19  N   UNL     1       6.049   6.598   0.377  1.00  0.00           N  
HETATM   20  C   UNL     1       6.600   5.428   0.526  1.00  0.00           C  
HETATM   21  N   UNL     1       7.539   5.229  -0.442  1.00  0.00           N  
HETATM   22  C   UNL     1       8.371   4.035  -0.610  1.00  0.00           C  
HETATM   23  C   UNL     1       9.706   4.199   0.150  1.00  0.00           C  
HETATM   24  O   UNL     1      10.744   4.606  -0.744  1.00  0.00           O  
HETATM   25  C   UNL     1       9.995   2.788   0.710  1.00  0.00           C  
HETATM   26  O   UNL     1      11.221   2.280   0.179  1.00  0.00           O  
HETATM   27  P   UNL     1      12.463   1.844   1.105  1.00  0.00           P  
HETATM   28  O   UNL     1      12.042   0.577   2.005  1.00  0.00           O  
HETATM   29  O   UNL     1      13.714   1.447   0.172  1.00  0.00           O  
HETATM   30  O   UNL     1      12.843   2.971   1.986  1.00  0.00           O  
HETATM   31  C   UNL     1       8.801   1.939   0.222  1.00  0.00           C  
HETATM   32  O   UNL     1       7.737   2.890   0.002  1.00  0.00           O  
HETATM   33  C   UNL     1       8.395   0.925   1.294  1.00  0.00           C  
HETATM   34  O   UNL     1       7.369   0.074   0.781  1.00  0.00           O  
HETATM   35  P   UNL     1       6.702  -1.112   1.641  1.00  0.00           P  
HETATM   36  O   UNL     1       5.900  -0.486   2.889  1.00  0.00           O  
HETATM   37  O   UNL     1       7.762  -2.016   2.140  1.00  0.00           O  
HETATM   38  O   UNL     1       5.683  -1.942   0.711  1.00  0.00           O  
HETATM   39  P   UNL     1       4.957  -3.373   0.847  1.00  0.00           P  
HETATM   40  O   UNL     1       3.675  -3.235   1.811  1.00  0.00           O  
HETATM   41  O   UNL     1       5.904  -4.354   1.423  1.00  0.00           O  
HETATM   42  O   UNL     1       4.483  -3.874  -0.608  1.00  0.00           O  
HETATM   43  C   UNL     1       3.567  -5.311  -2.322  1.00  0.00           C  
HETATM   44  C   UNL     1       3.899  -5.158  -0.836  1.00  0.00           C  
HETATM   45  C   UNL     1       2.578  -4.219  -2.738  1.00  0.00           C  
HETATM   46  C   UNL     1       4.848  -5.179  -3.147  1.00  0.00           C  
HETATM   47  C   UNL     1       2.941  -6.685  -2.567  1.00  0.00           C  
HETATM   48  O   UNL     1       3.910  -7.703  -2.305  1.00  0.00           O  
HETATM   49  C   UNL     1       1.759  -6.870  -1.650  1.00  0.00           C  
HETATM   50  O   UNL     1       1.808  -7.686  -0.755  1.00  0.00           O  
HETATM   51  N   UNL     1       0.648  -6.127  -1.826  1.00  0.00           N  
HETATM   52  C   UNL     1      -0.463  -6.237  -0.878  1.00  0.00           C  
HETATM   53  C   UNL     1      -1.592  -5.295  -1.304  1.00  0.00           C  
HETATM   54  C   UNL     1      -2.735  -5.407  -0.329  1.00  0.00           C  
HETATM   55  O   UNL     1      -2.656  -6.166   0.614  1.00  0.00           O  
HETATM   56  N   UNL     1      -3.846  -4.665  -0.505  1.00  0.00           N  
HETATM   57  C   UNL     1      -4.958  -4.774   0.443  1.00  0.00           C  
HETATM   58  C   UNL     1      -6.086  -3.833   0.017  1.00  0.00           C  
HETATM   59  S   UNL     1      -7.459  -3.968   1.188  1.00  0.00           S  
HETATM   60  O   UNL     1      -8.247  -2.246  -0.514  1.00  0.00           O  
HETATM   61  C   UNL     1      -9.891  -2.601   1.143  1.00  0.00           C  
HETATM   62  C   UNL     1     -12.026  -1.312   0.988  1.00  0.00           C  
HETATM   63  C   UNL     1     -14.161  -0.024   0.833  1.00  0.00           C  
HETATM   64  C   UNL     1     -17.071   2.304  -0.133  1.00  0.00           C  
HETATM   65  C   UNL     1     -20.566   3.841   0.367  1.00  0.00           C  
HETATM   66  H   UNL     1     -10.101  -0.628   0.302  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.814  -1.928  -0.684  1.00  0.00           H  
HETATM   68  H   UNL     1     -18.283   2.920   1.538  1.00  0.00           H  
HETATM   69  H   UNL     1     -18.995   1.621   0.552  1.00  0.00           H  
HETATM   70  H   UNL     1     -16.860   0.332   0.707  1.00  0.00           H  
HETATM   71  H   UNL     1     -16.148   1.632   1.693  1.00  0.00           H  
HETATM   72  H   UNL     1     -15.084   0.649  -0.994  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.372   1.948  -0.008  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.236   0.660   0.147  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.949  -0.640  -0.839  1.00  0.00           H  
HETATM   76  H   UNL     1     -18.642   4.525  -0.318  1.00  0.00           H  
HETATM   77  H   UNL     1     -19.354   3.225  -1.304  1.00  0.00           H  
HETATM   78  H   UNL     1     -21.490   4.513  -1.459  1.00  0.00           H  
HETATM   79  H   UNL     1     -20.777   5.813  -0.473  1.00  0.00           H  
HETATM   80  H   UNL     1     -25.389   7.158  -0.521  1.00  0.00           H  
HETATM   81  H   UNL     1     -25.401   5.485   0.087  1.00  0.00           H  
HETATM   82  H   UNL     1     -24.688   6.785   1.073  1.00  0.00           H  
HETATM   83  H   UNL     1     -23.625   5.802  -1.614  1.00  0.00           H  
HETATM   84  H   UNL     1     -22.912   7.101  -0.628  1.00  0.00           H  
HETATM   85  H   UNL     1     -23.266   4.197   0.242  1.00  0.00           H  
HETATM   86  H   UNL     1     -22.553   5.497   1.228  1.00  0.00           H  
HETATM   87  H   UNL     1       8.615   8.188  -3.721  1.00  0.00           H  
HETATM   88  H   UNL     1       4.943   9.140  -0.052  1.00  0.00           H  
HETATM   89  H   UNL     1       5.353  10.222  -1.270  1.00  0.00           H  
HETATM   90  H   UNL     1       6.350   4.720   1.302  1.00  0.00           H  
HETATM   91  H   UNL     1       8.555   3.847  -1.668  1.00  0.00           H  
HETATM   92  H   UNL     1       9.597   4.918   0.962  1.00  0.00           H  
HETATM   93  H   UNL     1      10.613   5.484  -1.125  1.00  0.00           H  
HETATM   94  H   UNL     1      10.030   2.809   1.799  1.00  0.00           H  
HETATM   95  H   UNL     1      11.781  -0.200   1.493  1.00  0.00           H  
HETATM   96  H   UNL     1      14.500   1.173   0.664  1.00  0.00           H  
HETATM   97  H   UNL     1       9.053   1.427  -0.706  1.00  0.00           H  
HETATM   98  H   UNL     1       9.261   0.324   1.572  1.00  0.00           H  
HETATM   99  H   UNL     1       8.024   1.454   2.172  1.00  0.00           H  
HETATM  100  H   UNL     1       5.189   0.118   2.636  1.00  0.00           H  
HETATM  101  H   UNL     1       3.011  -2.607   1.495  1.00  0.00           H  
HETATM  102  H   UNL     1       4.603  -5.936  -0.540  1.00  0.00           H  
HETATM  103  H   UNL     1       2.986  -5.252  -0.249  1.00  0.00           H  
HETATM  104  H   UNL     1       3.063  -3.245  -2.672  1.00  0.00           H  
HETATM  105  H   UNL     1       2.254  -4.395  -3.764  1.00  0.00           H  
HETATM  106  H   UNL     1       1.713  -4.240  -2.075  1.00  0.00           H  
HETATM  107  H   UNL     1       5.326  -4.225  -2.927  1.00  0.00           H  
HETATM  108  H   UNL     1       5.529  -5.992  -2.894  1.00  0.00           H  
HETATM  109  H   UNL     1       4.604  -5.227  -4.208  1.00  0.00           H  
HETATM  110  H   UNL     1       2.612  -6.755  -3.603  1.00  0.00           H  
HETATM  111  H   UNL     1       4.248  -7.700  -1.399  1.00  0.00           H  
HETATM  112  H   UNL     1       0.585  -5.521  -2.580  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.831  -7.262  -0.867  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.119  -5.963   0.119  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.224  -4.269  -1.316  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.936  -5.569  -2.302  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.910  -4.058  -1.259  1.00  0.00           H  
HETATM  118  H   UNL     1      -5.326  -5.800   0.454  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.613  -4.501   1.440  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.718  -2.807   0.005  1.00  0.00           H  
HETATM  121  H   UNL     1      -6.431  -4.106  -0.980  1.00  0.00           H  
HETATM  122  H   UNL     1      -9.742  -2.233   2.158  1.00  0.00           H  
HETATM  123  H   UNL     1     -10.455  -3.533   1.173  1.00  0.00           H  
HETATM  124  H   UNL     1     -12.590  -2.244   1.017  1.00  0.00           H  
HETATM  125  H   UNL     1     -11.877  -0.945   2.003  1.00  0.00           H  
HETATM  126  H   UNL     1     -14.013   0.344   1.848  1.00  0.00           H  
HETATM  127  H   UNL     1     -14.725  -0.956   0.862  1.00  0.00           H  
HETATM  128  H   UNL     1     -17.219   1.937  -1.149  1.00  0.00           H  
HETATM  129  H   UNL     1     -16.507   3.236  -0.163  1.00  0.00           H  
HETATM  130  H   UNL     1     -21.131   2.909   0.397  1.00  0.00           H  
HETATM  131  H   UNL     1     -20.418   4.208   1.383  1.00  0.00           H  
CONECT    1   62   61   66   67                                       
CONECT    2   60   60   59   61                                       
CONECT    3    7   64   68   69                                       
CONECT    4   64    5   70   71                                       
CONECT    5    4   63   72   73                                       
CONECT    6   63   62   74   75                                       
CONECT    7   65    3   76   77                                       
CONECT    8   11   65   78   79                                       
CONECT    9   10   80   81   82                                       
CONECT   10    9   11   83   84                                       
CONECT   11   10    8   85   86                                       
CONECT   12   17   17   13                                            
CONECT   13   14   14   12   87                                       
CONECT   14   15   13   13                                            
CONECT   15   21   16   16   14                                       
CONECT   16   19   15   15   17                                       
CONECT   17   16   18   12   12                                       
CONECT   18   17   88   89                                            
CONECT   19   20   20   16                                            
CONECT   20   19   19   21   90                                       
CONECT   21   20   22   15                                            
CONECT   22   23   21   32   91                                       
CONECT   23   24   25   22   92                                       
CONECT   24   23   93                                                 
CONECT   25   26   23   31   94                                       
CONECT   26   27   25                                                 
CONECT   27   30   30   26   28                                       
CONECT   27   29                                                      
CONECT   28   27   95                                                 
CONECT   29   27   96                                                 
CONECT   30   27   27                                                 
CONECT   31   25   33   32   97                                       
CONECT   32   22   31                                                 
CONECT   33   31   34   98   99                                       
CONECT   34   33   35                                                 
CONECT   35   34   38   37   37                                       
CONECT   35   36                                                      
CONECT   36   35  100                                                 
CONECT   37   35   35                                                 
CONECT   38   39   35                                                 
CONECT   39   41   41   40   38                                       
CONECT   39   42                                                      
CONECT   40   39  101                                                 
CONECT   41   39   39                                                 
CONECT   42   39   44                                                 
CONECT   43   46   44   47   45                                       
CONECT   44   42   43  102  103                                       
CONECT   45   43  104  105  106                                       
CONECT   46   43  107  108  109                                       
CONECT   47   43   48   49  110                                       
CONECT   48   47  111                                                 
CONECT   49   47   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52  112                                            
CONECT   52   51   53  113  114                                       
CONECT   53   52   54  115  116                                       
CONECT   54   53   56   55   55                                       
CONECT   55   54   54                                                 
CONECT   56   54   57  117                                            
CONECT   57   56   58  118  119                                       
CONECT   58   57   59  120  121                                       
CONECT   59   58    2                                                 
CONECT   60    2    2                                                 
CONECT   61    1    2  122  123                                       
CONECT   62    6    1  124  125                                       
CONECT   63    5    6  126  127                                       
CONECT   64    3    4  128  129                                       
CONECT   65    8    7  130  131                                       
CONECT   66    1                                                      
CONECT   67    1                                                      
CONECT   68    3                                                      
CONECT   69    3                                                      
CONECT   70    4                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    5                                                      
CONECT   74    6                                                      
CONECT   75    6                                                      
CONECT   76    7                                                      
CONECT   77    7                                                      
CONECT   78    8                                                      
CONECT   79    8                                                      
CONECT   80    9                                                      
CONECT   81    9                                                      
CONECT   82    9                                                      
CONECT   83   10                                                      
CONECT   84   10                                                      
CONECT   85   11                                                      
CONECT   86   11                                                      
CONECT   87   13                                                      
CONECT   88   18                                                      
CONECT   89   18                                                      
CONECT   90   20                                                      
CONECT   91   22                                                      
CONECT   92   23                                                      
CONECT   93   24                                                      
CONECT   94   25                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   31                                                      
CONECT   98   33                                                      
CONECT   99   33                                                      
CONECT  100   36                                                      
CONECT  101   40                                                      
CONECT  102   44                                                      
CONECT  103   44                                                      
CONECT  104   45                                                      
CONECT  105   45                                                      
CONECT  106   45                                                      
CONECT  107   46                                                      
CONECT  108   46                                                      
CONECT  109   46                                                      
CONECT  110   47                                                      
CONECT  111   48                                                      
CONECT  112   51                                                      
CONECT  113   52                                                      
CONECT  114   52                                                      
CONECT  115   53                                                      
CONECT  116   53                                                      
CONECT  117   56                                                      
CONECT  118   57                                                      
CONECT  119   57                                                      
CONECT  120   58                                                      
CONECT  121   58                                                      
CONECT  122   61                                                      
CONECT  123   61                                                      
CONECT  124   62                                                      
CONECT  125   62                                                      
CONECT  126   63                                                      
CONECT  127   63                                                      
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
