COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -13.649 -15.582  15.595  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.869 -18.230  16.841  1.00  0.00           C  
HETATM    3  C   UNL     1     -15.570 -24.564  15.964  1.00  0.00           C  
HETATM    4  C   UNL     1     -14.494 -25.526  15.389  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.253 -22.619  14.401  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.085 -20.714  15.720  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.971 -23.194  15.012  1.00  0.00           C  
HETATM    8  C   UNL     1     -15.048 -18.422  17.349  1.00  0.00           C  
HETATM    9  C   UNL     1     -17.215 -20.407  16.271  1.00  0.00           C  
HETATM   10  C   UNL     1     -16.543 -22.271  17.845  1.00  0.00           C  
HETATM   11  C   UNL     1     -15.524 -24.581  17.518  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.490 -25.154  14.553  1.00  0.00           C  
HETATM   13  C   UNL     1     -13.303 -23.690  14.108  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.485 -23.079  12.953  1.00  0.00           C  
HETATM   15  C   UNL     1     -14.943 -15.408  13.289  1.00  0.00           C  
HETATM   16  C   UNL     1     -13.920 -14.841  14.273  1.00  0.00           C  
HETATM   17  C   UNL     1     -13.845 -17.460  17.088  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.578 -19.249  15.770  1.00  0.00           C  
HETATM   19  C   UNL     1     -15.809 -20.369  15.633  1.00  0.00           C  
HETATM   20  C   UNL     1     -17.513 -21.836  16.699  1.00  0.00           C  
HETATM   21  C   UNL     1     -16.744 -23.795  18.091  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.223 -22.109  17.690  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.111 -21.184  17.195  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.771 -22.398  18.071  1.00  0.00           C  
HETATM   25  C   UNL     1     -18.449 -18.686  14.890  1.00  0.00           C  
HETATM   26  C   UNL     1     -19.745 -17.302  13.327  1.00  0.00           C  
HETATM   27  C   UNL     1     -20.661 -17.598  12.109  1.00  0.00           C  
HETATM   28  C   UNL     1     -18.528 -16.465  12.850  1.00  0.00           C  
HETATM   29  C   UNL     1     -20.553 -16.574  14.432  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.995 -13.855  16.241  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.986 -13.344  17.284  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.208 -12.059  17.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.937 -12.433  19.034  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.451 -11.283  15.698  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.460 -11.796  14.666  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.239 -13.107  14.955  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.191 -21.563  18.765  1.00  0.00           C  
HETATM   38  N   UNL     1     -14.815 -19.406  16.175  1.00  0.00           N  
HETATM   39  N   UNL     1     -12.528 -21.192  14.451  1.00  0.00           N  
HETATM   40  N   UNL     1     -10.284 -22.504  15.829  1.00  0.00           N  
HETATM   41  N   UNL     1     -18.180 -20.073  15.276  1.00  0.00           N  
HETATM   42  N   UNL     1     -12.695 -15.100  16.565  1.00  0.00           N  
HETATM   43  N   UNL     1     -13.213 -13.611  13.973  1.00  0.00           N  
HETATM   44  O   UNL     1     -14.345 -16.764  15.857  1.00  0.00           O  
HETATM   45  O   UNL     1     -15.538 -21.095  14.721  1.00  0.00           O  
HETATM   46  O   UNL     1     -13.204 -21.450  16.662  1.00  0.00           O  
HETATM   47  O   UNL     1     -10.590 -24.483  14.669  1.00  0.00           O  
HETATM   48  O   UNL     1      -7.918 -23.755  15.516  1.00  0.00           O  
HETATM   49  O   UNL     1      -9.372 -24.431  17.252  1.00  0.00           O  
HETATM   50  O   UNL     1     -17.979 -17.748  15.457  1.00  0.00           O  
HETATM   51  O   UNL     1     -19.323 -18.586  13.794  1.00  0.00           O  
HETATM   52  O   UNL     1      -9.289 -11.585  17.946  1.00  0.00           O  
HETATM   53  S   UNL     1      -8.921 -23.263  16.478  1.00  0.00           S  
HETATM   54  H   UNL     1     -12.527 -18.758  17.743  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.024 -17.688  16.391  1.00  0.00           H  
HETATM   56  H   UNL     1     -15.375 -23.543  15.605  1.00  0.00           H  
HETATM   57  H   UNL     1     -16.566 -24.887  15.626  1.00  0.00           H  
HETATM   58  H   UNL     1     -14.548 -26.566  15.675  1.00  0.00           H  
HETATM   59  H   UNL     1     -16.016 -17.906  17.271  1.00  0.00           H  
HETATM   60  H   UNL     1     -14.976 -18.920  18.327  1.00  0.00           H  
HETATM   61  H   UNL     1     -17.260 -19.727  17.135  1.00  0.00           H  
HETATM   62  H   UNL     1     -15.502 -22.075  17.548  1.00  0.00           H  
HETATM   63  H   UNL     1     -16.774 -21.711  18.763  1.00  0.00           H  
HETATM   64  H   UNL     1     -15.560 -25.622  17.873  1.00  0.00           H  
HETATM   65  H   UNL     1     -14.592 -24.109  17.861  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.804 -25.905  14.190  1.00  0.00           H  
HETATM   67  H   UNL     1     -14.292 -23.207  14.113  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.723 -23.682  12.438  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.969 -22.405  12.231  1.00  0.00           H  
HETATM   70  H   UNL     1     -15.011 -14.750  12.410  1.00  0.00           H  
HETATM   71  H   UNL     1     -14.628 -16.413  12.971  1.00  0.00           H  
HETATM   72  H   UNL     1     -15.927 -15.470  13.778  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.711 -16.762  17.927  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.504 -18.803  14.767  1.00  0.00           H  
HETATM   75  H   UNL     1     -18.551 -21.899  17.058  1.00  0.00           H  
HETATM   76  H   UNL     1     -17.382 -22.508  15.838  1.00  0.00           H  
HETATM   77  H   UNL     1     -17.664 -24.129  17.589  1.00  0.00           H  
HETATM   78  H   UNL     1     -16.827 -23.984  19.171  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.833 -21.178  16.131  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.018 -20.167  17.604  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.249 -23.263  17.635  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.435 -22.251  19.108  1.00  0.00           H  
HETATM   83  H   UNL     1     -21.527 -18.191  12.437  1.00  0.00           H  
HETATM   84  H   UNL     1     -21.010 -16.650  11.674  1.00  0.00           H  
HETATM   85  H   UNL     1     -20.095 -18.162  11.353  1.00  0.00           H  
HETATM   86  H   UNL     1     -17.872 -16.250  13.706  1.00  0.00           H  
HETATM   87  H   UNL     1     -17.967 -17.032  12.092  1.00  0.00           H  
HETATM   88  H   UNL     1     -18.882 -15.520  12.413  1.00  0.00           H  
HETATM   89  H   UNL     1     -19.897 -16.368  15.291  1.00  0.00           H  
HETATM   90  H   UNL     1     -20.945 -15.626  14.035  1.00  0.00           H  
HETATM   91  H   UNL     1     -21.390 -17.211  14.754  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.829 -13.886  18.205  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.212 -11.918  19.681  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.839 -12.677  19.615  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.489 -13.360  18.646  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.907 -10.370  15.508  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.627 -11.252  13.748  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.649 -20.879  19.434  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.014 -21.021  18.276  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.599 -22.400  19.350  1.00  0.00           H  
HETATM  101  H   UNL     1     -12.351 -20.583  13.678  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.535 -21.567  16.073  1.00  0.00           H  
HETATM  103  H   UNL     1     -18.689 -20.808  14.828  1.00  0.00           H  
CONECT    1   16   44   42   42                                       
CONECT    2   18   17   54   55                                       
CONECT    3    4   11   56   57                                       
CONECT    4   12   12    3   58                                       
CONECT    5   14   13   39    7                                       
CONECT    6   39   18   46   46                                       
CONECT    7    5   47   47   40                                       
CONECT    8   38   17   59   60                                       
CONECT    9   41   19   20   61                                       
CONECT   10   20   21   62   63                                       
CONECT   11    3   21   64   65                                       
CONECT   12   13    4    4   66                                       
CONECT   13   14    5   12   67                                       
CONECT   14   13    5   68   69                                       
CONECT   15   16   70   71   72                                       
CONECT   16   15   43   43    1                                       
CONECT   17   44    2    8   73                                       
CONECT   18    6   38    2   74                                       
CONECT   19   45   45   38    9                                       
CONECT   20    9   10   75   76                                       
CONECT   21   11   10   77   78                                       
CONECT   22   53   23   24   37                                       
CONECT   23   22   24   79   80                                       
CONECT   24   23   22   81   82                                       
CONECT   25   51   41   50   50                                       
CONECT   26   27   28   51   29                                       
CONECT   27   26   83   84   85                                       
CONECT   28   26   86   87   88                                       
CONECT   29   26   89   90   91                                       
CONECT   30   36   42   31   31                                       
CONECT   31   30   30   32   92                                       
CONECT   32   34   34   31   52                                       
CONECT   33   52   93   94   95                                       
CONECT   34   35   32   32   96                                       
CONECT   35   36   36   34   97                                       
CONECT   36   43   35   35   30                                       
CONECT   37   22   98   99  100                                       
CONECT   38   19   18    8                                            
CONECT   39    5    6  101                                            
CONECT   40    7   53  102                                            
CONECT   41   25    9  103                                            
CONECT   42    1    1   30                                            
CONECT   43   16   16   36                                            
CONECT   44    1   17                                                 
CONECT   45   19   19                                                 
CONECT   46    6    6                                                 
CONECT   47    7    7                                                 
CONECT   48   53   53                                                 
CONECT   49   53   53                                                 
CONECT   50   25   25                                                 
CONECT   51   26   25                                                 
CONECT   52   32   33                                                 
CONECT   53   48   48   40   49                                       
CONECT   53   49   22                                                 
CONECT   54    2                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   29                                                      
CONECT   91   29                                                      
CONECT   92   31                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   35                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
