COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -12.499  -1.800   2.003  1.00  0.00           C  
HETATM    2  N   UNL     1      -7.454   0.541  -1.970  1.00  0.00           N  
HETATM    3  O   UNL     1       0.636   1.276   1.986  1.00  0.00           O  
HETATM    4  S   UNL     1       2.187   3.526   1.331  1.00  0.00           S  
HETATM    5  C   UNL     1     -12.795  -2.873   2.818  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.710   0.275  -1.257  1.00  0.00           N  
HETATM    7  O   UNL     1       1.986   3.490   2.737  1.00  0.00           O  
HETATM    8  S   UNL     1       9.279  -0.466   0.193  1.00  0.00           S  
HETATM    9  C   UNL     1     -12.074  -4.049   2.707  1.00  0.00           C  
HETATM   10  N   UNL     1       0.761   3.041   0.643  1.00  0.00           N  
HETATM   11  O   UNL     1       2.591   4.696   0.633  1.00  0.00           O  
HETATM   12  C   UNL     1     -11.054  -4.155   1.780  1.00  0.00           C  
HETATM   13  N   UNL     1       4.702  -0.880   2.481  1.00  0.00           N1+
HETATM   14  O   UNL     1       4.931  -1.993   2.042  1.00  0.00           O1-
HETATM   15  C   UNL     1     -10.749  -3.088   0.959  1.00  0.00           C  
HETATM   16  N   UNL     1       6.227  -0.632   0.109  1.00  0.00           N  
HETATM   17  O   UNL     1       4.631  -0.703   3.684  1.00  0.00           O  
HETATM   18  C   UNL     1     -11.472  -1.902   1.066  1.00  0.00           C  
HETATM   19  N   UNL     1       3.953  -1.276  -3.455  1.00  0.00           N  
HETATM   20  C   UNL     1     -11.150  -0.751   0.186  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.873   0.435   0.294  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.569   1.502  -0.528  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.549   1.395  -1.456  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.828   0.220  -1.567  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.119  -0.851  -0.746  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.719   0.111  -2.581  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.399   0.675  -2.985  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.122   1.200  -2.323  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.765   0.141  -0.243  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.042  -0.384  -0.905  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.513   0.683  -0.680  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.951  -0.062   0.353  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.766   0.338   0.927  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.126   1.494   0.471  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.692   2.240  -0.567  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.875   1.832  -1.140  1.00  0.00           C  
HETATM   37  C   UNL     1       0.145   1.926   1.084  1.00  0.00           C  
HETATM   38  C   UNL     1       3.388   2.290   0.967  1.00  0.00           C  
HETATM   39  C   UNL     1       4.148   2.384  -0.184  1.00  0.00           C  
HETATM   40  C   UNL     1       5.091   1.416  -0.472  1.00  0.00           C  
HETATM   41  C   UNL     1       5.275   0.348   0.397  1.00  0.00           C  
HETATM   42  C   UNL     1       4.509   0.256   1.553  1.00  0.00           C  
HETATM   43  C   UNL     1       3.572   1.230   1.837  1.00  0.00           C  
HETATM   44  C   UNL     1       6.920  -0.624  -1.182  1.00  0.00           C  
HETATM   45  C   UNL     1       6.068  -1.353  -2.223  1.00  0.00           C  
HETATM   46  C   UNL     1       4.771  -0.576  -2.455  1.00  0.00           C  
HETATM   47  C   UNL     1       2.605  -0.697  -3.532  1.00  0.00           C  
HETATM   48  C   UNL     1       4.606  -1.266  -4.770  1.00  0.00           C  
HETATM   49  C   UNL     1       8.269  -1.331  -1.041  1.00  0.00           C  
HETATM   50  C   UNL     1      10.768  -1.408   0.217  1.00  0.00           C  
HETATM   51  C   UNL     1      11.809  -1.044   1.062  1.00  0.00           C  
HETATM   52  C   UNL     1      12.974  -1.784   1.079  1.00  0.00           C  
HETATM   53  C   UNL     1      13.107  -2.887   0.255  1.00  0.00           C  
HETATM   54  C   UNL     1      12.073  -3.252  -0.589  1.00  0.00           C  
HETATM   55  C   UNL     1      10.902  -2.520  -0.605  1.00  0.00           C  
HETATM   56  H   UNL     1     -13.065  -0.884   2.087  1.00  0.00           H  
HETATM   57  H   UNL     1     -13.591  -2.795   3.544  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.309  -4.886   3.348  1.00  0.00           H  
HETATM   59  H   UNL     1       0.368   3.559  -0.077  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.494  -5.075   1.698  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.952  -3.172   0.236  1.00  0.00           H  
HETATM   62  H   UNL     1       6.429  -1.319   0.763  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.670   0.519   1.017  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.128   2.422  -0.445  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.314   2.233  -2.096  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.553  -1.767  -0.830  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.944   0.747  -3.436  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.629  -0.924  -2.911  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.201  -0.298  -3.435  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.722   1.374  -3.756  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.312   2.185  -1.896  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.330   1.273  -3.068  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.442  -0.558   0.528  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.963   1.114   0.207  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.834  -0.457  -0.160  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.851  -1.368  -1.332  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.446  -0.955   0.705  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.331  -0.241   1.728  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.201   3.134  -0.921  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.311   2.406  -1.944  1.00  0.00           H  
HETATM   81  H   UNL     1       4.005   3.215  -0.859  1.00  0.00           H  
HETATM   82  H   UNL     1       5.684   1.490  -1.371  1.00  0.00           H  
HETATM   83  H   UNL     1       2.980   1.162   2.738  1.00  0.00           H  
HETATM   84  H   UNL     1       7.081   0.406  -1.501  1.00  0.00           H  
HETATM   85  H   UNL     1       6.621  -1.424  -3.160  1.00  0.00           H  
HETATM   86  H   UNL     1       5.833  -2.354  -1.863  1.00  0.00           H  
HETATM   87  H   UNL     1       5.006   0.425  -2.815  1.00  0.00           H  
HETATM   88  H   UNL     1       4.217  -0.505  -1.518  1.00  0.00           H  
HETATM   89  H   UNL     1       2.677   0.354  -3.812  1.00  0.00           H  
HETATM   90  H   UNL     1       2.021  -1.234  -4.279  1.00  0.00           H  
HETATM   91  H   UNL     1       2.118  -0.781  -2.560  1.00  0.00           H  
HETATM   92  H   UNL     1       5.573  -1.763  -4.700  1.00  0.00           H  
HETATM   93  H   UNL     1       3.980  -1.791  -5.491  1.00  0.00           H  
HETATM   94  H   UNL     1       4.750  -0.236  -5.096  1.00  0.00           H  
HETATM   95  H   UNL     1       8.785  -1.324  -2.002  1.00  0.00           H  
HETATM   96  H   UNL     1       8.108  -2.361  -0.723  1.00  0.00           H  
HETATM   97  H   UNL     1      11.707  -0.182   1.706  1.00  0.00           H  
HETATM   98  H   UNL     1      13.784  -1.502   1.735  1.00  0.00           H  
HETATM   99  H   UNL     1      14.019  -3.464   0.269  1.00  0.00           H  
HETATM  100  H   UNL     1      12.180  -4.114  -1.231  1.00  0.00           H  
HETATM  101  H   UNL     1      10.093  -2.809  -1.260  1.00  0.00           H  
CONECT    1    5    5   18   56                                       
CONECT    2   26   27   30                                            
CONECT    3   37   37                                                 
CONECT    4    7    7   10   11                                       
CONECT    4   11   38                                                 
CONECT    5    1    1    9   57                                       
CONECT    6   28   29   31                                            
CONECT    7    4    4                                                 
CONECT    8   49   50                                                 
CONECT    9    5   12   12   58                                       
CONECT   10    4   37   59                                            
CONECT   11    4    4                                                 
CONECT   12    9    9   15   60                                       
CONECT   13   14   17   17   42                                       
CONECT   14   13                                                      
CONECT   15   12   18   18   61                                       
CONECT   16   41   44   62                                            
CONECT   17   13   13                                                 
CONECT   18    1   15   15   20                                       
CONECT   19   46   47   48                                            
CONECT   20   18   21   21   25                                       
CONECT   21   20   20   22   63                                       
CONECT   22   21   23   23   64                                       
CONECT   23   22   22   24   65                                       
CONECT   24   23   25   25   26                                       
CONECT   25   20   24   24   66                                       
CONECT   26    2   24   67   68                                       
CONECT   27    2   28   69   70                                       
CONECT   28    6   27   71   72                                       
CONECT   29    6   30   73   74                                       
CONECT   30    2   29   75   76                                       
CONECT   31    6   32   32   36                                       
CONECT   32   31   31   33   77                                       
CONECT   33   32   34   34   78                                       
CONECT   34   33   33   35   37                                       
CONECT   35   34   36   36   79                                       
CONECT   36   31   35   35   80                                       
CONECT   37    3    3   10   34                                       
CONECT   38    4   39   39   43                                       
CONECT   39   38   38   40   81                                       
CONECT   40   39   41   41   82                                       
CONECT   41   16   40   40   42                                       
CONECT   42   13   41   43   43                                       
CONECT   43   38   42   42   83                                       
CONECT   44   16   45   49   84                                       
CONECT   45   44   46   85   86                                       
CONECT   46   19   45   87   88                                       
CONECT   47   19   89   90   91                                       
CONECT   48   19   92   93   94                                       
CONECT   49    8   44   95   96                                       
CONECT   50    8   51   51   55                                       
CONECT   51   50   50   52   97                                       
CONECT   52   51   53   53   98                                       
CONECT   53   52   52   54   99                                       
CONECT   54   53   55   55  100                                       
CONECT   55   50   54   54  101                                       
CONECT   56    1                                                      
CONECT   57    5                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   12                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
CONECT   89   47                                                      
CONECT   90   47                                                      
CONECT   91   47                                                      
CONECT   92   48                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   49                                                      
CONECT   97   51                                                      
CONECT   98   52                                                      
CONECT   99   53                                                      
CONECT  100   54                                                      
CONECT  101   55                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
