COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1      -6.058  -0.725  -1.451  1.00  0.00           N  
HETATM    2  C   UNK     1      -4.812  -0.302  -2.104  1.00  0.00           C  
HETATM    3  C   UNK     1      -5.038   1.004  -2.819  1.00  0.00           C  
HETATM    4  O   UNK     1      -5.854   1.789  -2.399  1.00  0.00           O  
HETATM    5  O   UNK     1      -4.332   1.295  -3.924  1.00  0.00           O  
HETATM    6  C   UNK     1      -3.718  -0.123  -1.048  1.00  0.00           C  
HETATM    7  C   UNK     1      -3.489  -1.450  -0.322  1.00  0.00           C  
HETATM    8  C   UNK     1      -2.412  -1.274   0.717  1.00  0.00           C  
HETATM    9  O   UNK     1      -1.881  -0.194   0.863  1.00  0.00           O  
HETATM   10  N   UNK     1      -2.040  -2.317   1.485  1.00  0.00           N  
HETATM   11  C   UNK     1      -0.993  -2.146   2.496  1.00  0.00           C  
HETATM   12  C   UNK     1      -1.421  -1.096   3.489  1.00  0.00           C  
HETATM   13  O   UNK     1      -2.149  -0.192   3.140  1.00  0.00           O  
HETATM   14  C   UNK     1       0.304  -1.705   1.816  1.00  0.00           C  
HETATM   15  S   UNK     1       0.819  -2.968   0.620  1.00  0.00           S  
HETATM   16  N   UNK     1      -0.995  -1.163   4.766  1.00  0.00           N  
HETATM   17  C   UNK     1      -1.411  -0.143   5.732  1.00  0.00           C  
HETATM   18  C   UNK     1      -0.801  -0.446   7.076  1.00  0.00           C  
HETATM   19  O   UNK     1      -0.089  -1.419   7.214  1.00  0.00           O  
HETATM   20  N   UNK     1       0.999  -1.164  -4.767  1.00  0.00           N  
HETATM   21  C   UNK     1       1.414  -0.143  -5.733  1.00  0.00           C  
HETATM   22  C   UNK     1       0.805  -0.448  -7.077  1.00  0.00           C  
HETATM   23  O   UNK     1       0.094  -1.421  -7.215  1.00  0.00           O  
HETATM   24  C   UNK     1       1.426  -1.096  -3.490  1.00  0.00           C  
HETATM   25  O   UNK     1       2.153  -0.190  -3.141  1.00  0.00           O  
HETATM   26  C   UNK     1       0.999  -2.145  -2.496  1.00  0.00           C  
HETATM   27  N   UNK     1       2.046  -2.315  -1.485  1.00  0.00           N  
HETATM   28  C   UNK     1      -0.298  -1.706  -1.816  1.00  0.00           C  
HETATM   29  S   UNK     1      -0.812  -2.970  -0.620  1.00  0.00           S  
HETATM   30  C   UNK     1       4.815  -0.295   2.103  1.00  0.00           C  
HETATM   31  C   UNK     1       5.040   1.011   2.818  1.00  0.00           C  
HETATM   32  O   UNK     1       5.855   1.798   2.397  1.00  0.00           O  
HETATM   33  O   UNK     1       4.334   1.302   3.922  1.00  0.00           O  
HETATM   34  N   UNK     1       6.062  -0.716   1.450  1.00  0.00           N  
HETATM   35  C   UNK     1       3.722  -0.118   1.047  1.00  0.00           C  
HETATM   36  C   UNK     1       3.494  -1.445   0.321  1.00  0.00           C  
HETATM   37  C   UNK     1       2.417  -1.271  -0.718  1.00  0.00           C  
HETATM   38  O   UNK     1       1.884  -0.191  -0.863  1.00  0.00           O  
HETATM   39  N   UNK     1      -1.047   0.362   8.125  1.00  0.00           N  
HETATM   40  C   UNK     1      -0.454   0.068   9.432  1.00  0.00           C  
HETATM   41  C   UNK     1      -0.889   1.133  10.441  1.00  0.00           C  
HETATM   42  N   UNK     1      -0.687   1.848  12.775  1.00  0.00           N  
HETATM   43  C   UNK     1      -0.270   0.826  11.806  1.00  0.00           C  
HETATM   44  C   UNK     1      -0.062   1.496  14.056  1.00  0.00           C  
HETATM   45  C   UNK     1      -0.457   2.526  15.117  1.00  0.00           C  
HETATM   46  C   UNK     1       0.193   2.159  16.452  1.00  0.00           C  
HETATM   47  C   UNK     1      -0.201   3.189  17.512  1.00  0.00           C  
HETATM   48  N   UNK     1       0.424   2.836  18.794  1.00  0.00           N  
HETATM   49  N   UNK     1       1.050   0.361  -8.127  1.00  0.00           N  
HETATM   50  C   UNK     1       0.458   0.065  -9.433  1.00  0.00           C  
HETATM   51  C   UNK     1       0.890   1.131 -10.442  1.00  0.00           C  
HETATM   52  C   UNK     1       0.272   0.822 -11.807  1.00  0.00           C  
HETATM   53  N   UNK     1       0.688   1.845 -12.776  1.00  0.00           N  
HETATM   54  C   UNK     1       0.063   1.491 -14.058  1.00  0.00           C  
HETATM   55  C   UNK     1       0.457   2.521 -15.118  1.00  0.00           C  
HETATM   56  C   UNK     1      -0.193   2.153 -16.453  1.00  0.00           C  
HETATM   57  C   UNK     1       0.200   3.183 -17.514  1.00  0.00           C  
HETATM   58  N   UNK     1      -0.424   2.829 -18.796  1.00  0.00           N  
HETATM   59  H   UNK     1      -6.772  -0.730  -2.164  1.00  0.00           H  
HETATM   60  H   UNK     1      -6.305   0.002  -0.798  1.00  0.00           H  
HETATM   61  H   UNK     1      -4.502  -1.061  -2.822  1.00  0.00           H  
HETATM   62  H   UNK     1      -4.477   2.133  -4.383  1.00  0.00           H  
HETATM   63  H   UNK     1      -4.028   0.635  -0.330  1.00  0.00           H  
HETATM   64  H   UNK     1      -2.794   0.189  -1.532  1.00  0.00           H  
HETATM   65  H   UNK     1      -3.179  -2.209  -1.040  1.00  0.00           H  
HETATM   66  H   UNK     1      -4.414  -1.764   0.162  1.00  0.00           H  
HETATM   67  H   UNK     1      -2.465  -3.181   1.369  1.00  0.00           H  
HETATM   68  H   UNK     1      -0.830  -3.091   3.013  1.00  0.00           H  
HETATM   69  H   UNK     1       0.140  -0.760   1.298  1.00  0.00           H  
HETATM   70  H   UNK     1       1.083  -1.578   2.568  1.00  0.00           H  
HETATM   71  H   UNK     1      -0.412  -1.887   5.045  1.00  0.00           H  
HETATM   72  H   UNK     1      -2.497  -0.145   5.817  1.00  0.00           H  
HETATM   73  H   UNK     1      -1.074   0.836   5.393  1.00  0.00           H  
HETATM   74  H   UNK     1       0.418  -1.888  -5.046  1.00  0.00           H  
HETATM   75  H   UNK     1       1.076   0.835  -5.394  1.00  0.00           H  
HETATM   76  H   UNK     1       2.501  -0.144  -5.818  1.00  0.00           H  
HETATM   77  H   UNK     1       0.837  -3.091  -3.013  1.00  0.00           H  
HETATM   78  H   UNK     1       2.473  -3.178  -1.369  1.00  0.00           H  
HETATM   79  H   UNK     1      -1.077  -1.580  -2.568  1.00  0.00           H  
HETATM   80  H   UNK     1      -0.136  -0.761  -1.299  1.00  0.00           H  
HETATM   81  H   UNK     1       4.507  -1.054   2.822  1.00  0.00           H  
HETATM   82  H   UNK     1       4.478   2.141   4.381  1.00  0.00           H  
HETATM   83  H   UNK     1       6.308   0.011   0.797  1.00  0.00           H  
HETATM   84  H   UNK     1       6.776  -0.720   2.163  1.00  0.00           H  
HETATM   85  H   UNK     1       4.030   0.640   0.328  1.00  0.00           H  
HETATM   86  H   UNK     1       2.797   0.194   1.531  1.00  0.00           H  
HETATM   87  H   UNK     1       3.186  -2.204   1.040  1.00  0.00           H  
HETATM   88  H   UNK     1       4.419  -1.758  -0.162  1.00  0.00           H  
HETATM   89  H   UNK     1      -1.616   1.140   8.015  1.00  0.00           H  
HETATM   90  H   UNK     1       0.631   0.070   9.347  1.00  0.00           H  
HETATM   91  H   UNK     1      -0.791  -0.911   9.771  1.00  0.00           H  
HETATM   92  H   UNK     1      -1.975   1.131  10.526  1.00  0.00           H  
HETATM   93  H   UNK     1      -0.552   2.113  10.102  1.00  0.00           H  
HETATM   94  H   UNK     1      -1.683   1.742  12.898  1.00  0.00           H  
HETATM   95  H   UNK     1       0.816   0.827  11.721  1.00  0.00           H  
HETATM   96  H   UNK     1      -0.606  -0.153  12.145  1.00  0.00           H  
HETATM   97  H   UNK     1       1.021   1.489  13.942  1.00  0.00           H  
HETATM   98  H   UNK     1      -0.401   0.507  14.366  1.00  0.00           H  
HETATM   99  H   UNK     1      -1.541   2.533  15.231  1.00  0.00           H  
HETATM  100  H   UNK     1      -0.118   3.514  14.807  1.00  0.00           H  
HETATM  101  H   UNK     1       1.277   2.152  16.338  1.00  0.00           H  
HETATM  102  H   UNK     1      -0.145   1.170  16.761  1.00  0.00           H  
HETATM  103  H   UNK     1      -1.285   3.196  17.626  1.00  0.00           H  
HETATM  104  H   UNK     1       0.138   4.177  17.202  1.00  0.00           H  
HETATM  105  H   UNK     1       0.137   3.539  19.459  1.00  0.00           H  
HETATM  106  H   UNK     1       0.005   1.968  19.091  1.00  0.00           H  
HETATM  107  H   UNK     1       1.618   1.139  -8.016  1.00  0.00           H  
HETATM  108  H   UNK     1       0.795  -0.913  -9.772  1.00  0.00           H  
HETATM  109  H   UNK     1      -0.628   0.066  -9.348  1.00  0.00           H  
HETATM  110  H   UNK     1       0.553   2.110 -10.104  1.00  0.00           H  
HETATM  111  H   UNK     1       1.977   1.130 -10.527  1.00  0.00           H  
HETATM  112  H   UNK     1       0.610  -0.157 -12.146  1.00  0.00           H  
HETATM  113  H   UNK     1      -0.814   0.822 -11.722  1.00  0.00           H  
HETATM  114  H   UNK     1       0.268   2.713 -12.479  1.00  0.00           H  
HETATM  115  H   UNK     1       0.404   0.503 -14.367  1.00  0.00           H  
HETATM  116  H   UNK     1      -1.020   1.483 -13.944  1.00  0.00           H  
HETATM  117  H   UNK     1       0.116   3.510 -14.809  1.00  0.00           H  
HETATM  118  H   UNK     1       1.541   2.530 -15.232  1.00  0.00           H  
HETATM  119  H   UNK     1       0.147   1.165 -16.763  1.00  0.00           H  
HETATM  120  H   UNK     1      -1.277   2.145 -16.339  1.00  0.00           H  
HETATM  121  H   UNK     1      -0.140   4.171 -17.204  1.00  0.00           H  
HETATM  122  H   UNK     1       1.284   3.192 -17.628  1.00  0.00           H  
HETATM  123  H   UNK     1      -0.139   3.532 -19.461  1.00  0.00           H  
HETATM  124  H   UNK     1      -0.004   1.961 -19.093  1.00  0.00           H  
CONECT    1    2   59   60                                            
CONECT    2    1    3    6   61                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   62                                                 
CONECT    6    2    7   63   64                                       
CONECT    7    6    8   65   66                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   67                                            
CONECT   11   10   12   14   68                                       
CONECT   12   11   13   13   16                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   69   70                                       
CONECT   15   14   29                                                 
CONECT   16   12   17   71                                            
CONECT   17   16   18   72   73                                       
CONECT   18   17   19   19   39                                       
CONECT   19   18   18                                                 
CONECT   20   21   24   74                                            
CONECT   21   20   22   75   76                                       
CONECT   22   21   23   23   49                                       
CONECT   23   22   22                                                 
CONECT   24   20   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   28   77                                       
CONECT   27   26   37   78                                            
CONECT   28   26   29   79   80                                       
CONECT   29   15   28                                                 
CONECT   30   31   34   35   81                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   82                                                 
CONECT   34   30   83   84                                            
CONECT   35   30   36   85   86                                       
CONECT   36   35   37   87   88                                       
CONECT   37   27   36   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   18   40   89                                            
CONECT   40   39   41   90   91                                       
CONECT   41   40   43   92   93                                       
CONECT   42   43   44   94                                            
CONECT   43   41   42   95   96                                       
CONECT   44   42   45   97   98                                       
CONECT   45   44   46   99  100                                       
CONECT   46   45   47  101  102                                       
CONECT   47   46   48  103  104                                       
CONECT   48   47  105  106                                            
CONECT   49   22   50  107                                            
CONECT   50   49   51  108  109                                       
CONECT   51   50   52  110  111                                       
CONECT   52   51   53  112  113                                       
CONECT   53   52   54  114                                            
CONECT   54   53   55  115  116                                       
CONECT   55   54   56  117  118                                       
CONECT   56   55   57  119  120                                       
CONECT   57   56   58  121  122                                       
CONECT   58   57  123  124                                            
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   30                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
CONECT  103   47                                                      
CONECT  104   47                                                      
CONECT  105   48                                                      
CONECT  106   48                                                      
CONECT  107   49                                                      
CONECT  108   50                                                      
CONECT  109   50                                                      
CONECT  110   51                                                      
CONECT  111   51                                                      
CONECT  112   52                                                      
CONECT  113   52                                                      
CONECT  114   53                                                      
CONECT  115   54                                                      
CONECT  116   54                                                      
CONECT  117   55                                                      
CONECT  118   55                                                      
CONECT  119   56                                                      
CONECT  120   56                                                      
CONECT  121   57                                                      
CONECT  122   57                                                      
CONECT  123   58                                                      
CONECT  124   58                                                      
MASTER        0    0    0    0    0    0    0    0  124    0  124    0
END
