COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -22.474   3.685   1.268  1.00  0.00           O  
HETATM    2  C   UNL     1     -21.432   3.491   0.677  1.00  0.00           C  
HETATM    3  C   UNL     1     -20.211   4.235   1.002  1.00  0.00           C  
HETATM    4  C   UNL     1     -21.324   2.463  -0.432  1.00  0.00           C  
HETATM    5  C   UNL     1     -20.096   1.602  -0.139  1.00  0.00           C  
HETATM    6  C   UNL     1     -18.833   2.441  -0.046  1.00  0.00           C  
HETATM    7  C   UNL     1     -18.361   2.746  -1.469  1.00  0.00           C  
HETATM    8  C   UNL     1     -19.020   3.746   0.658  1.00  0.00           C  
HETATM    9  C   UNL     1     -17.792   4.576   0.983  1.00  0.00           C  
HETATM   10  C   UNL     1     -16.757   3.678   1.664  1.00  0.00           C  
HETATM   11  C   UNL     1     -17.736   1.628   0.652  1.00  0.00           C  
HETATM   12  C   UNL     1     -16.468   2.472   0.766  1.00  0.00           C  
HETATM   13  C   UNL     1     -17.487   0.345  -0.135  1.00  0.00           C  
HETATM   14  C   UNL     1     -16.310  -0.458   0.443  1.00  0.00           C  
HETATM   15  C   UNL     1     -15.097   0.453   0.426  1.00  0.00           C  
HETATM   16  C   UNL     1     -14.879   1.000  -0.986  1.00  0.00           C  
HETATM   17  C   UNL     1     -15.394   1.606   1.401  1.00  0.00           C  
HETATM   18  C   UNL     1     -14.010   2.252   1.533  1.00  0.00           C  
HETATM   19  C   UNL     1     -13.062   1.026   1.627  1.00  0.00           C  
HETATM   20  C   UNL     1     -13.796  -0.138   0.958  1.00  0.00           C  
HETATM   21  C   UNL     1     -12.961  -0.703  -0.192  1.00  0.00           C  
HETATM   22  C   UNL     1     -13.691  -1.895  -0.815  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.601  -1.159   0.340  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.720  -1.608  -0.828  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.360  -2.064  -0.295  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.480  -2.513  -1.463  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.094  -3.751  -2.118  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.101  -2.845  -0.954  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.848  -2.734   0.228  1.00  0.00           O  
HETATM   30  S   UNL     1      -5.892  -3.380  -2.042  1.00  0.00           S  
HETATM   31  C   UNL     1      -4.514  -3.611  -0.892  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.285  -4.101  -1.661  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.169  -4.288  -0.730  1.00  0.00           N  
HETATM   34  O   UNL     1      -0.826  -4.950  -2.366  1.00  0.00           O  
HETATM   35  C   UNL     1      -0.976  -4.718  -1.186  1.00  0.00           C  
HETATM   36  C   UNL     1       0.171  -4.910  -0.228  1.00  0.00           C  
HETATM   37  C   UNL     1       1.400  -5.400  -0.997  1.00  0.00           C  
HETATM   38  N   UNL     1       2.516  -5.588  -0.066  1.00  0.00           N  
HETATM   39  C   UNL     1       3.709  -6.017  -0.522  1.00  0.00           C  
HETATM   40  O   UNL     1       3.836  -6.333  -1.686  1.00  0.00           O  
HETATM   41  C   UNL     1       4.886  -6.106   0.415  1.00  0.00           C  
HETATM   42  O   UNL     1       4.454  -5.834   1.750  1.00  0.00           O  
HETATM   43  C   UNL     1       5.944  -5.080   0.003  1.00  0.00           C  
HETATM   44  C   UNL     1       6.508  -5.453  -1.370  1.00  0.00           C  
HETATM   45  C   UNL     1       5.308  -3.691  -0.067  1.00  0.00           C  
HETATM   46  C   UNL     1       7.075  -5.072   1.033  1.00  0.00           C  
HETATM   47  O   UNL     1       8.064  -4.114   0.648  1.00  0.00           O  
HETATM   48  P   UNL     1       9.399  -3.839   1.505  1.00  0.00           P  
HETATM   49  O   UNL     1      10.321  -5.159   1.501  1.00  0.00           O  
HETATM   50  O   UNL     1       9.030  -3.499   2.898  1.00  0.00           O  
HETATM   51  O   UNL     1      10.213  -2.614   0.851  1.00  0.00           O  
HETATM   52  P   UNL     1      11.411  -1.668   1.363  1.00  0.00           P  
HETATM   53  O   UNL     1      11.196  -1.326   2.786  1.00  0.00           O  
HETATM   54  O   UNL     1      12.813  -2.444   1.202  1.00  0.00           O  
HETATM   55  O   UNL     1      11.441  -0.318   0.485  1.00  0.00           O  
HETATM   56  C   UNL     1      12.326   0.770   0.761  1.00  0.00           C  
HETATM   57  C   UNL     1      12.094   1.887  -0.259  1.00  0.00           C  
HETATM   58  C   UNL     1      13.123   3.021  -0.058  1.00  0.00           C  
HETATM   59  O   UNL     1      14.201   2.889  -0.988  1.00  0.00           O  
HETATM   60  P   UNL     1      15.733   2.697  -0.533  1.00  0.00           P  
HETATM   61  O   UNL     1      15.837   1.530   0.371  1.00  0.00           O  
HETATM   62  O   UNL     1      16.652   2.454  -1.832  1.00  0.00           O  
HETATM   63  O   UNL     1      16.234   4.019   0.238  1.00  0.00           O  
HETATM   64  C   UNL     1      12.321   4.311  -0.338  1.00  0.00           C  
HETATM   65  O   UNL     1      12.877   5.015  -1.450  1.00  0.00           O  
HETATM   66  O   UNL     1      10.810   2.510  -0.039  1.00  0.00           O  
HETATM   67  C   UNL     1      10.901   3.803  -0.676  1.00  0.00           C  
HETATM   68  N   UNL     1       9.891   4.713  -0.129  1.00  0.00           N  
HETATM   69  C   UNL     1       9.417   5.853  -0.727  1.00  0.00           C  
HETATM   70  N   UNL     1       9.658   6.482  -1.873  1.00  0.00           N  
HETATM   71  C   UNL     1       9.022   7.594  -2.175  1.00  0.00           C  
HETATM   72  C   UNL     1       9.246   4.579   1.064  1.00  0.00           C  
HETATM   73  N   UNL     1       8.415   5.566   1.234  1.00  0.00           N  
HETATM   74  C   UNL     1       8.471   6.392   0.161  1.00  0.00           C  
HETATM   75  C   UNL     1       7.818   7.581  -0.206  1.00  0.00           C  
HETATM   76  N   UNL     1       8.125   8.138  -1.372  1.00  0.00           N  
HETATM   77  H   UNL     1     -20.277   5.180   1.521  1.00  0.00           H  
HETATM   78  H   UNL     1     -22.218   1.840  -0.448  1.00  0.00           H  
HETATM   79  H   UNL     1     -21.204   2.965  -1.392  1.00  0.00           H  
HETATM   80  H   UNL     1     -20.246   1.079   0.805  1.00  0.00           H  
HETATM   81  H   UNL     1     -19.977   0.868  -0.936  1.00  0.00           H  
HETATM   82  H   UNL     1     -19.139   3.295  -2.000  1.00  0.00           H  
HETATM   83  H   UNL     1     -17.454   3.348  -1.429  1.00  0.00           H  
HETATM   84  H   UNL     1     -18.155   1.811  -1.991  1.00  0.00           H  
HETATM   85  H   UNL     1     -18.075   1.360   1.653  1.00  0.00           H  
HETATM   86  H   UNL     1     -17.374   4.985   0.064  1.00  0.00           H  
HETATM   87  H   UNL     1     -18.068   5.389   1.655  1.00  0.00           H  
HETATM   88  H   UNL     1     -15.837   4.240   1.825  1.00  0.00           H  
HETATM   89  H   UNL     1     -17.147   3.334   2.622  1.00  0.00           H  
HETATM   90  H   UNL     1     -16.152   2.809  -0.221  1.00  0.00           H  
HETATM   91  H   UNL     1     -18.386  -0.271  -0.105  1.00  0.00           H  
HETATM   92  H   UNL     1     -17.267   0.601  -1.172  1.00  0.00           H  
HETATM   93  H   UNL     1     -15.738   1.219   2.360  1.00  0.00           H  
HETATM   94  H   UNL     1     -16.534  -0.760   1.466  1.00  0.00           H  
HETATM   95  H   UNL     1     -16.123  -1.338  -0.173  1.00  0.00           H  
HETATM   96  H   UNL     1     -15.764   1.554  -1.301  1.00  0.00           H  
HETATM   97  H   UNL     1     -14.015   1.664  -0.988  1.00  0.00           H  
HETATM   98  H   UNL     1     -14.705   0.173  -1.673  1.00  0.00           H  
HETATM   99  H   UNL     1     -14.007  -0.918   1.691  1.00  0.00           H  
HETATM  100  H   UNL     1     -13.779   2.852   0.653  1.00  0.00           H  
HETATM  101  H   UNL     1     -13.952   2.856   2.439  1.00  0.00           H  
HETATM  102  H   UNL     1     -12.130   1.232   1.100  1.00  0.00           H  
HETATM  103  H   UNL     1     -12.857   0.791   2.672  1.00  0.00           H  
HETATM  104  H   UNL     1     -12.815   0.068  -0.948  1.00  0.00           H  
HETATM  105  H   UNL     1     -14.632  -1.559  -1.249  1.00  0.00           H  
HETATM  106  H   UNL     1     -13.068  -2.336  -1.594  1.00  0.00           H  
HETATM  107  H   UNL     1     -13.891  -2.641  -0.045  1.00  0.00           H  
HETATM  108  H   UNL     1     -11.119  -0.332   0.862  1.00  0.00           H  
HETATM  109  H   UNL     1     -11.741  -1.991   1.030  1.00  0.00           H  
HETATM  110  H   UNL     1     -11.202  -2.435  -1.349  1.00  0.00           H  
HETATM  111  H   UNL     1     -10.580  -0.776  -1.518  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.878  -1.237   0.226  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.501  -2.896   0.394  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.412  -1.709  -2.197  1.00  0.00           H  
HETATM  115  H   UNL     1      -9.162  -4.555  -1.385  1.00  0.00           H  
HETATM  116  H   UNL     1     -10.091  -3.511  -2.487  1.00  0.00           H  
HETATM  117  H   UNL     1      -8.467  -4.071  -2.951  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.284  -2.663  -0.405  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.789  -4.349  -0.138  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.289  -4.103   0.215  1.00  0.00           H  
HETATM  121  H   UNL     1       1.170  -6.348  -1.483  1.00  0.00           H  
HETATM  122  H   UNL     1       1.676  -4.662  -1.750  1.00  0.00           H  
HETATM  123  H   UNL     1       2.396  -5.402   0.879  1.00  0.00           H  
HETATM  124  H   UNL     1       5.314  -7.108   0.368  1.00  0.00           H  
HETATM  125  H   UNL     1       4.063  -4.958   1.866  1.00  0.00           H  
HETATM  126  H   UNL     1       5.732  -5.333  -2.126  1.00  0.00           H  
HETATM  127  H   UNL     1       7.349  -4.801  -1.607  1.00  0.00           H  
HETATM  128  H   UNL     1       6.845  -6.489  -1.355  1.00  0.00           H  
HETATM  129  H   UNL     1       4.907  -3.425   0.911  1.00  0.00           H  
HETATM  130  H   UNL     1       6.062  -2.960  -0.361  1.00  0.00           H  
HETATM  131  H   UNL     1       4.502  -3.697  -0.801  1.00  0.00           H  
HETATM  132  H   UNL     1       6.674  -4.807   2.011  1.00  0.00           H  
HETATM  133  H   UNL     1       7.529  -6.062   1.083  1.00  0.00           H  
HETATM  134  H   UNL     1      10.601  -5.440   0.619  1.00  0.00           H  
HETATM  135  H   UNL     1      13.019  -2.699   0.293  1.00  0.00           H  
HETATM  136  H   UNL     1      12.133   1.149   1.765  1.00  0.00           H  
HETATM  137  H   UNL     1      13.358   0.425   0.694  1.00  0.00           H  
HETATM  138  H   UNL     1      12.157   1.492  -1.273  1.00  0.00           H  
HETATM  139  H   UNL     1      13.500   3.017   0.965  1.00  0.00           H  
HETATM  140  H   UNL     1      12.301   4.948   0.546  1.00  0.00           H  
HETATM  141  H   UNL     1      17.590   2.330  -1.633  1.00  0.00           H  
HETATM  142  H   UNL     1      16.193   4.825  -0.295  1.00  0.00           H  
HETATM  143  H   UNL     1      12.412   5.834  -1.670  1.00  0.00           H  
HETATM  144  H   UNL     1      10.780   3.704  -1.754  1.00  0.00           H  
HETATM  145  H   UNL     1       9.402   3.773   1.766  1.00  0.00           H  
HETATM  146  H   UNL     1       9.242   8.080  -3.114  1.00  0.00           H  
HETATM  147  N   UNL     1       6.877   8.158   0.628  1.00  0.00           N  
HETATM  148  H   UNL     1       6.661   7.742   1.477  1.00  0.00           H  
HETATM  149  H   UNL     1       6.432   8.979   0.364  1.00  0.00           H  
HETATM  150  H   UNL     1      -3.515  -5.049  -2.147  1.00  0.00           H  
HETATM  151  H   UNL     1      -3.010  -3.363  -2.414  1.00  0.00           H  
HETATM  152  H   UNL     1       0.401  -3.963   0.259  1.00  0.00           H  
HETATM  153  H   UNL     1      -0.104  -5.648   0.525  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2    8    8   77                                       
CONECT    4    2    5   78   79                                       
CONECT    5    4    6   80   81                                       
CONECT    6    5    7    8   11                                       
CONECT    7    6   82   83   84                                       
CONECT    8    3    3    6    9                                       
CONECT    9    8   10   86   87                                       
CONECT   10    9   12   88   89                                       
CONECT   11    6   12   13   85                                       
CONECT   12   10   11   17   90                                       
CONECT   13   11   14   91   92                                       
CONECT   14   13   15   94   95                                       
CONECT   15   14   16   17   20                                       
CONECT   16   15   96   97   98                                       
CONECT   17   12   15   18   93                                       
CONECT   18   17   19  100  101                                       
CONECT   19   18   20  102  103                                       
CONECT   20   15   19   21   99                                       
CONECT   21   20   22   23  104                                       
CONECT   22   21  105  106  107                                       
CONECT   23   21   24  108  109                                       
CONECT   24   23   25  110  111                                       
CONECT   25   24   26  112  113                                       
CONECT   26   25   27   28  114                                       
CONECT   27   26  115  116  117                                       
CONECT   28   26   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31                                                 
CONECT   31   30   32  118  119                                       
CONECT   32   31   33  150  151                                       
CONECT   33   32   35  120                                            
CONECT   34   35   35                                                 
CONECT   35   33   34   34   36                                       
CONECT   36   35   37  152  153                                       
CONECT   37   36   38  121  122                                       
CONECT   38   37   39  123                                            
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   43  124                                       
CONECT   42   41  125                                                 
CONECT   43   41   44   45   46                                       
CONECT   44   43  126  127  128                                       
CONECT   45   43  129  130  131                                       
CONECT   46   43   47  132  133                                       
CONECT   47   46   48                                                 
CONECT   48   47   49   50   50                                       
CONECT   48   51                                                      
CONECT   49   48  134                                                 
CONECT   50   48   48                                                 
CONECT   51   48   52                                                 
CONECT   52   51   53   53   54                                       
CONECT   52   55                                                      
CONECT   53   52   52                                                 
CONECT   54   52  135                                                 
CONECT   55   52   56                                                 
CONECT   56   55   57  136  137                                       
CONECT   57   56   58   66  138                                       
CONECT   58   57   59   64  139                                       
CONECT   59   58   60                                                 
CONECT   60   59   61   61   62                                       
CONECT   60   63                                                      
CONECT   61   60   60                                                 
CONECT   62   60  141                                                 
CONECT   63   60  142                                                 
CONECT   64   58   65   67  140                                       
CONECT   65   64  143                                                 
CONECT   66   57   67                                                 
CONECT   67   64   66   68  144                                       
CONECT   68   67   69   72                                            
CONECT   69   68   70   74   74                                       
CONECT   70   69   71   71                                            
CONECT   71   70   70   76  146                                       
CONECT   72   68   73   73  145                                       
CONECT   73   72   72   74                                            
CONECT   74   69   69   73   75                                       
CONECT   75   74   76   76  147                                       
CONECT   76   71   75   75                                            
CONECT   77    3                                                      
CONECT   78    4                                                      
CONECT   79    4                                                      
CONECT   80    5                                                      
CONECT   81    5                                                      
CONECT   82    7                                                      
CONECT   83    7                                                      
CONECT   84    7                                                      
CONECT   85   11                                                      
CONECT   86    9                                                      
CONECT   87    9                                                      
CONECT   88   10                                                      
CONECT   89   10                                                      
CONECT   90   12                                                      
CONECT   91   13                                                      
CONECT   92   13                                                      
CONECT   93   17                                                      
CONECT   94   14                                                      
CONECT   95   14                                                      
CONECT   96   16                                                      
CONECT   97   16                                                      
CONECT   98   16                                                      
CONECT   99   20                                                      
CONECT  100   18                                                      
CONECT  101   18                                                      
CONECT  102   19                                                      
CONECT  103   19                                                      
CONECT  104   21                                                      
CONECT  105   22                                                      
CONECT  106   22                                                      
CONECT  107   22                                                      
CONECT  108   23                                                      
CONECT  109   23                                                      
CONECT  110   24                                                      
CONECT  111   24                                                      
CONECT  112   25                                                      
CONECT  113   25                                                      
CONECT  114   26                                                      
CONECT  115   27                                                      
CONECT  116   27                                                      
CONECT  117   27                                                      
CONECT  118   31                                                      
CONECT  119   31                                                      
CONECT  120   33                                                      
CONECT  121   37                                                      
CONECT  122   37                                                      
CONECT  123   38                                                      
CONECT  124   41                                                      
CONECT  125   42                                                      
CONECT  126   44                                                      
CONECT  127   44                                                      
CONECT  128   44                                                      
CONECT  129   45                                                      
CONECT  130   45                                                      
CONECT  131   45                                                      
CONECT  132   46                                                      
CONECT  133   46                                                      
CONECT  134   49                                                      
CONECT  135   54                                                      
CONECT  136   56                                                      
CONECT  137   56                                                      
CONECT  138   57                                                      
CONECT  139   58                                                      
CONECT  140   64                                                      
CONECT  141   62                                                      
CONECT  142   63                                                      
CONECT  143   65                                                      
CONECT  144   67                                                      
CONECT  145   72                                                      
CONECT  146   71                                                      
CONECT  147   75  148  149                                            
CONECT  148  147                                                      
CONECT  149  147                                                      
CONECT  150   32                                                      
CONECT  151   32                                                      
CONECT  152   36                                                      
CONECT  153   36                                                      
MASTER        0    0    0    0    0    0    0    0  153    0  153    0
END
