COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.993  -0.989  -2.386  1.00  0.00           C  
HETATM    2  C   UNL     1       9.883   0.347  -2.785  1.00  0.00           C  
HETATM    3  N   UNL     1       9.046   0.947  -1.978  1.00  0.00           N  
HETATM    4  N   UNL     1       8.596   0.010  -1.038  1.00  0.00           N  
HETATM    5  C   UNL     1       9.196  -1.168  -1.307  1.00  0.00           C  
HETATM    6  C   UNL     1      10.604   0.985  -3.944  1.00  0.00           C  
HETATM    7  C   UNL     1       7.647   0.266   0.048  1.00  0.00           C  
HETATM    8  O   UNL     1       6.296   0.018  -0.422  1.00  0.00           O  
HETATM    9  C   UNL     1       5.252   0.189   0.411  1.00  0.00           C  
HETATM   10  C   UNL     1       9.006  -2.456  -0.547  1.00  0.00           C  
HETATM   11  O   UNL     1       5.440   0.552   1.555  1.00  0.00           O  
HETATM   12  N   UNL     1       3.997  -0.041  -0.025  1.00  0.00           N  
HETATM   13  C   UNL     1       2.861   0.145   0.881  1.00  0.00           C  
HETATM   14  C   UNL     1       2.437   1.615   0.871  1.00  0.00           C  
HETATM   15  S   UNL     1       3.824   2.648   1.419  1.00  0.00           S  
HETATM   16  O   UNL     1       4.868   2.568   0.459  1.00  0.00           O  
HETATM   17  O   UNL     1       4.102   2.363   2.783  1.00  0.00           O  
HETATM   18  C   UNL     1       3.041   4.281   1.305  1.00  0.00           C  
HETATM   19  C   UNL     1       1.709  -0.713   0.425  1.00  0.00           C  
HETATM   20  O   UNL     1       1.826  -1.412  -0.559  1.00  0.00           O  
HETATM   21  N   UNL     1       0.550  -0.704   1.112  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.570  -1.538   0.669  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.885  -0.931   1.163  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.413  -2.949   1.240  1.00  0.00           C  
HETATM   25  C   UNL     1       0.838  -3.602   0.648  1.00  0.00           C  
HETATM   26  C   UNL     1       1.065  -4.962   1.312  1.00  0.00           C  
HETATM   27  C   UNL     1       0.648  -3.794  -0.858  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.042   0.479   0.592  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.399   1.050   1.009  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.494   2.512   0.570  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.501   0.256   0.354  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.873  -0.868   2.591  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.227  -0.674  -0.375  1.00  0.00           O  
HETATM   34  N   UNL     1      -5.790   0.581   0.578  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.860  -0.191  -0.059  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.175  -1.423   0.790  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.351  -2.182   0.172  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.949  -2.336   0.839  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.094   0.666  -0.178  1.00  0.00           C  
HETATM   40  O   UNL     1      -8.275   1.580   0.599  1.00  0.00           O  
HETATM   41  N   UNL     1      -8.996   0.418  -1.148  1.00  0.00           N  
HETATM   42  C   UNL     1     -10.246   1.180  -1.199  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.085   0.705  -2.387  1.00  0.00           C  
HETATM   44  C   UNL     1     -12.442   1.412  -2.368  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.356   1.034  -3.691  1.00  0.00           C  
HETATM   46  H   UNL     1      10.608  -1.744  -2.854  1.00  0.00           H  
HETATM   47  H   UNL     1      11.557   1.389  -3.601  1.00  0.00           H  
HETATM   48  H   UNL     1      10.783   0.237  -4.717  1.00  0.00           H  
HETATM   49  H   UNL     1       9.994   1.791  -4.353  1.00  0.00           H  
HETATM   50  H   UNL     1       7.735   1.304   0.370  1.00  0.00           H  
HETATM   51  H   UNL     1       7.868  -0.394   0.886  1.00  0.00           H  
HETATM   52  H   UNL     1       9.742  -2.518   0.254  1.00  0.00           H  
HETATM   53  H   UNL     1       8.002  -2.481  -0.122  1.00  0.00           H  
HETATM   54  H   UNL     1       9.134  -3.300  -1.225  1.00  0.00           H  
HETATM   55  H   UNL     1       3.847  -0.331  -0.938  1.00  0.00           H  
HETATM   56  H   UNL     1       3.151  -0.142   1.891  1.00  0.00           H  
HETATM   57  H   UNL     1       2.147   1.903  -0.140  1.00  0.00           H  
HETATM   58  H   UNL     1       1.592   1.754   1.545  1.00  0.00           H  
HETATM   59  H   UNL     1       2.172   4.313   1.962  1.00  0.00           H  
HETATM   60  H   UNL     1       3.754   5.048   1.608  1.00  0.00           H  
HETATM   61  H   UNL     1       2.727   4.462   0.277  1.00  0.00           H  
HETATM   62  H   UNL     1       0.456  -0.145   1.899  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.579  -1.586  -0.420  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.718  -1.552   0.834  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.315  -2.892   2.325  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.289  -3.544   0.985  1.00  0.00           H  
HETATM   67  H   UNL     1       1.701  -2.962   0.827  1.00  0.00           H  
HETATM   68  H   UNL     1       0.201  -5.602   1.133  1.00  0.00           H  
HETATM   69  H   UNL     1       1.956  -5.427   0.890  1.00  0.00           H  
HETATM   70  H   UNL     1       1.200  -4.825   2.385  1.00  0.00           H  
HETATM   71  H   UNL     1       0.486  -2.825  -1.330  1.00  0.00           H  
HETATM   72  H   UNL     1       1.539  -4.260  -1.279  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.216  -4.435  -1.036  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.984   0.439  -0.496  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.247   1.118   0.975  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.502   0.988   2.092  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.480   2.904   0.822  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.729   3.096   1.082  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.341   2.579  -0.507  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.123  -0.311   2.840  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.008   1.325   1.160  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.540  -0.506  -1.052  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.436  -1.111   1.802  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.130  -2.408  -0.871  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.512  -3.111   0.719  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.250  -1.567   0.228  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.111  -1.796   1.280  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.173  -3.214   1.445  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.688  -2.649  -0.172  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.818  -0.266  -1.813  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.020   2.240  -1.315  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.803   1.027  -0.276  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.236  -0.372  -2.317  1.00  0.00           H  
HETATM   94  H   UNL     1     -13.040   1.073  -3.214  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.961   1.177  -1.439  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.291   2.489  -2.438  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.206   2.112  -3.761  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.390   0.531  -3.705  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.954   0.696  -4.537  1.00  0.00           H  
CONECT    1    2    5    5   46                                       
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    7                                            
CONECT    5    1    1    4   10                                       
CONECT    6    2   47   48   49                                       
CONECT    7    4    8   50   51                                       
CONECT    8    7    9                                                 
CONECT    9    8   11   11   12                                       
CONECT   10    5   52   53   54                                       
CONECT   11    9    9                                                 
CONECT   12    9   13   55                                            
CONECT   13   12   14   19   56                                       
CONECT   14   13   15   57   58                                       
CONECT   15   14   16   16   17                                       
CONECT   15   17   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   59   60   61                                       
CONECT   19   13   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   62                                            
CONECT   22   21   23   24   63                                       
CONECT   23   22   28   32   64                                       
CONECT   24   22   25   65   66                                       
CONECT   25   24   26   27   67                                       
CONECT   26   25   68   69   70                                       
CONECT   27   25   71   72   73                                       
CONECT   28   23   29   74   75                                       
CONECT   29   28   30   31   76                                       
CONECT   30   29   77   78   79                                       
CONECT   31   29   33   33   34                                       
CONECT   32   23   80                                                 
CONECT   33   31   31                                                 
CONECT   34   31   35   81                                            
CONECT   35   34   36   39   82                                       
CONECT   36   35   37   38   83                                       
CONECT   37   36   84   85   86                                       
CONECT   38   36   87   88   89                                       
CONECT   39   35   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   90                                            
CONECT   42   41   43   91   92                                       
CONECT   43   42   44   45   93                                       
CONECT   44   43   94   95   96                                       
CONECT   45   43   97   98   99                                       
CONECT   46    1                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   45                                                      
CONECT   98   45                                                      
CONECT   99   45                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
