COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -4.714  -4.552  -0.411  1.00  0.00           C  
HETATM    2  C   UNK A   0     -14.464  -5.169   1.697  1.00  0.00           C  
HETATM    3  C   UNK A   0      -6.121  -4.185  -0.887  1.00  0.00           C  
HETATM    4  C   UNK A   0      -8.558  -4.339  -0.360  1.00  0.00           C  
HETATM    5  C   UNK A   0     -10.996  -4.494   0.167  1.00  0.00           C  
HETATM    6  C   UNK A   0     -12.026  -5.015   1.170  1.00  0.00           C  
HETATM    7  N   UNK A   1      -2.385  -4.247  -1.185  1.00  0.00           N  
HETATM    8  C   UNK A   1      -1.398  -3.747  -2.145  1.00  0.00           C  
HETATM    9  C   UNK A   1      -1.225  -4.765  -3.275  1.00  0.00           C  
HETATM   10  O   UNK A   1      -0.665  -5.970  -2.749  1.00  0.00           O  
HETATM   11  C   UNK A   1      -0.058  -3.539  -1.438  1.00  0.00           C  
HETATM   12  S   UNK A   1      -0.262  -2.332  -0.099  1.00  0.00           S  
HETATM   13  C   UNK A   0      -3.699  -4.039  -1.399  1.00  0.00           C  
HETATM   14  C   UNK A   1      -0.323   0.358   1.312  1.00  0.00           C  
HETATM   15  C   UNK A   1      -0.822   1.694   0.825  1.00  0.00           C  
HETATM   16  C   UNK A   1      -2.345   1.750   0.962  1.00  0.00           C  
HETATM   17  C   UNK A   0      -7.152  -4.707   0.116  1.00  0.00           C  
HETATM   18  C   UNK A   1      -2.852   3.106   0.468  1.00  0.00           C  
HETATM   19  C   UNK A   1      -4.374   3.162   0.605  1.00  0.00           C  
HETATM   20  C   UNK A   0      -9.589  -4.861   0.643  1.00  0.00           C  
HETATM   21  C   UNK A   1      -4.881   4.519   0.111  1.00  0.00           C  
HETATM   22  C   UNK A   1      -6.404   4.575   0.248  1.00  0.00           C  
HETATM   23  C   UNK A   1      -6.911   5.931  -0.246  1.00  0.00           C  
HETATM   24  C   UNK A   0     -13.433  -4.648   0.694  1.00  0.00           C  
HETATM   25  C   UNK A   1      -8.434   5.987  -0.110  1.00  0.00           C  
HETATM   26  O   UNK A   1      -1.105  -0.465   1.725  1.00  0.00           O  
HETATM   27  O   UNK A   1       5.365  -0.842   2.831  1.00  0.00           O  
HETATM   28  O   UNK A   0      -4.065  -3.438  -2.387  1.00  0.00           O  
HETATM   29  O   UNK A   1       0.991   0.082   1.286  1.00  0.00           O  
HETATM   30  C   UNK A   1      -8.941   7.343  -0.604  1.00  0.00           C  
HETATM   31  C   UNK A   1      15.811   1.388  -0.875  1.00  0.00           C  
HETATM   32  C   UNK A   1     -10.464   7.399  -0.467  1.00  0.00           C  
HETATM   33  C   UNK A   1      17.185   1.465  -0.207  1.00  0.00           C  
HETATM   34  C   UNK A   1     -10.971   8.756  -0.961  1.00  0.00           C  
HETATM   35  C   UNK A   1      18.243   1.817  -1.255  1.00  0.00           C  
HETATM   36  C   UNK A   1     -12.493   8.812  -0.824  1.00  0.00           C  
HETATM   37  C   UNK A   1      19.617   1.893  -0.587  1.00  0.00           C  
HETATM   38  C   UNK A   1     -13.000  10.168  -1.318  1.00  0.00           C  
HETATM   39  C   UNK A   1      20.674   2.246  -1.635  1.00  0.00           C  
HETATM   40  C   UNK A   1       5.042  -0.673   1.679  1.00  0.00           C  
HETATM   41  C   UNK A   1       2.806  -1.130   2.366  1.00  0.00           C  
HETATM   42  C   UNK A   1       6.083  -0.326   0.647  1.00  0.00           C  
HETATM   43  C   UNK A   1       1.400  -1.224   1.770  1.00  0.00           C  
HETATM   44  C   UNK A   1       7.457  -0.249   1.314  1.00  0.00           C  
HETATM   45  C   UNK A   1       1.404  -2.220   0.608  1.00  0.00           C  
HETATM   46  C   UNK A   1       8.515   0.103   0.266  1.00  0.00           C  
HETATM   47  C   UNK A   1       9.889   0.179   0.934  1.00  0.00           C  
HETATM   48  C   UNK A   1      10.947   0.531  -0.114  1.00  0.00           C  
HETATM   49  C   UNK A   1      12.321   0.608   0.554  1.00  0.00           C  
HETATM   50  C   UNK A   1      13.379   0.960  -0.494  1.00  0.00           C  
HETATM   51  C   UNK A   1      14.753   1.036   0.173  1.00  0.00           C  
HETATM   52  O   UNK A   1       3.754  -0.794   1.319  1.00  0.00           O  
HETATM   53  H   UNK A   0      -4.532  -4.102   0.565  1.00  0.00           H  
HETATM   54  H   UNK A   0      -4.629  -5.636  -0.332  1.00  0.00           H  
HETATM   55  H   UNK A   0     -15.466  -4.907   1.358  1.00  0.00           H  
HETATM   56  H   UNK A   0     -14.378  -6.253   1.776  1.00  0.00           H  
HETATM   57  H   UNK A   0     -14.281  -4.719   2.673  1.00  0.00           H  
HETATM   58  H   UNK A   0      -6.207  -3.101  -0.966  1.00  0.00           H  
HETATM   59  H   UNK A   0      -6.303  -4.636  -1.863  1.00  0.00           H  
HETATM   60  H   UNK A   0      -8.644  -3.256  -0.439  1.00  0.00           H  
HETATM   61  H   UNK A   0      -8.741  -4.790  -1.336  1.00  0.00           H  
HETATM   62  H   UNK A   0     -11.178  -4.944  -0.809  1.00  0.00           H  
HETATM   63  H   UNK A   0     -11.081  -3.410   0.088  1.00  0.00           H  
HETATM   64  H   UNK A   0     -11.941  -6.099   1.249  1.00  0.00           H  
HETATM   65  H   UNK A   0     -11.844  -4.564   2.146  1.00  0.00           H  
HETATM   66  H   UNK A   1      -2.092  -4.727  -0.394  1.00  0.00           H  
HETATM   67  H   UNK A   1      -1.742  -2.800  -2.560  1.00  0.00           H  
HETATM   68  H   UNK A   1      -2.196  -4.981  -3.721  1.00  0.00           H  
HETATM   69  H   UNK A   1      -0.559  -4.356  -4.034  1.00  0.00           H  
HETATM   70  H   UNK A   1      -0.527  -6.661  -3.411  1.00  0.00           H  
HETATM   71  H   UNK A   1       0.286  -4.486  -1.023  1.00  0.00           H  
HETATM   72  H   UNK A   1       0.677  -3.167  -2.153  1.00  0.00           H  
HETATM   73  H   UNK A   1      -0.374   2.488   1.422  1.00  0.00           H  
HETATM   74  H   UNK A   1      -0.546   1.826  -0.221  1.00  0.00           H  
HETATM   75  H   UNK A   1      -2.793   0.955   0.365  1.00  0.00           H  
HETATM   76  H   UNK A   1      -2.621   1.618   2.008  1.00  0.00           H  
HETATM   77  H   UNK A   0      -7.066  -5.790   0.195  1.00  0.00           H  
HETATM   78  H   UNK A   0      -6.969  -4.256   1.092  1.00  0.00           H  
HETATM   79  H   UNK A   1      -2.404   3.901   1.065  1.00  0.00           H  
HETATM   80  H   UNK A   1      -2.576   3.238  -0.578  1.00  0.00           H  
HETATM   81  H   UNK A   1      -4.822   2.368   0.008  1.00  0.00           H  
HETATM   82  H   UNK A   1      -4.650   3.030   1.651  1.00  0.00           H  
HETATM   83  H   UNK A   0      -9.503  -5.945   0.722  1.00  0.00           H  
HETATM   84  H   UNK A   0      -9.407  -4.410   1.619  1.00  0.00           H  
HETATM   85  H   UNK A   1      -4.434   5.313   0.708  1.00  0.00           H  
HETATM   86  H   UNK A   1      -4.605   4.651  -0.935  1.00  0.00           H  
HETATM   87  H   UNK A   1      -6.852   3.780  -0.349  1.00  0.00           H  
HETATM   88  H   UNK A   1      -6.680   4.443   1.294  1.00  0.00           H  
HETATM   89  H   UNK A   1      -6.463   6.726   0.351  1.00  0.00           H  
HETATM   90  H   UNK A   1      -6.635   6.063  -1.292  1.00  0.00           H  
HETATM   91  H   UNK A   0     -13.616  -5.098  -0.282  1.00  0.00           H  
HETATM   92  H   UNK A   0     -13.519  -3.564   0.615  1.00  0.00           H  
HETATM   93  H   UNK A   1      -8.882   5.192  -0.707  1.00  0.00           H  
HETATM   94  H   UNK A   1      -8.710   5.855   0.937  1.00  0.00           H  
HETATM   95  H   UNK A   1      -8.493   8.138  -0.007  1.00  0.00           H  
HETATM   96  H   UNK A   1      -8.665   7.476  -1.650  1.00  0.00           H  
HETATM   97  H   UNK A   1      15.571   2.353  -1.323  1.00  0.00           H  
HETATM   98  H   UNK A   1      15.825   0.621  -1.649  1.00  0.00           H  
HETATM   99  H   UNK A   1     -10.911   6.605  -1.064  1.00  0.00           H  
HETATM  100  H   UNK A   1     -10.740   7.267   0.579  1.00  0.00           H  
HETATM  101  H   UNK A   1      17.171   2.232   0.567  1.00  0.00           H  
HETATM  102  H   UNK A   1      17.425   0.501   0.242  1.00  0.00           H  
HETATM  103  H   UNK A   1     -10.523   9.550  -0.364  1.00  0.00           H  
HETATM  104  H   UNK A   1     -10.695   8.888  -2.007  1.00  0.00           H  
HETATM  105  H   UNK A   1      18.257   1.050  -2.029  1.00  0.00           H  
HETATM  106  H   UNK A   1      18.002   2.781  -1.704  1.00  0.00           H  
HETATM  107  H   UNK A   1     -12.941   8.017  -1.421  1.00  0.00           H  
HETATM  108  H   UNK A   1     -12.770   8.680   0.222  1.00  0.00           H  
HETATM  109  H   UNK A   1      19.603   2.661   0.187  1.00  0.00           H  
HETATM  110  H   UNK A   1      19.857   0.929  -0.139  1.00  0.00           H  
HETATM  111  H   UNK A   1     -12.724  10.300  -2.364  1.00  0.00           H  
HETATM  112  H   UNK A   1     -14.085  10.208  -1.221  1.00  0.00           H  
HETATM  113  H   UNK A   1     -12.553  10.963  -0.721  1.00  0.00           H  
HETATM  114  H   UNK A   1      20.434   3.210  -2.084  1.00  0.00           H  
HETATM  115  H   UNK A   1      21.653   2.300  -1.160  1.00  0.00           H  
HETATM  116  H   UNK A   1      20.688   1.478  -2.409  1.00  0.00           H  
HETATM  117  H   UNK A   1       2.823  -0.357   3.134  1.00  0.00           H  
HETATM  118  H   UNK A   1       3.078  -2.088   2.809  1.00  0.00           H  
HETATM  119  H   UNK A   1       6.097  -1.093  -0.127  1.00  0.00           H  
HETATM  120  H   UNK A   1       5.843   0.638   0.198  1.00  0.00           H  
HETATM  121  H   UNK A   1       0.702  -1.563   2.536  1.00  0.00           H  
HETATM  122  H   UNK A   1       7.443   0.518   2.088  1.00  0.00           H  
HETATM  123  H   UNK A   1       7.698  -1.214   1.763  1.00  0.00           H  
HETATM  124  H   UNK A   1       1.712  -3.201   0.971  1.00  0.00           H  
HETATM  125  H   UNK A   1       2.102  -1.882  -0.158  1.00  0.00           H  
HETATM  126  H   UNK A   1       8.529  -0.664  -0.508  1.00  0.00           H  
HETATM  127  H   UNK A   1       8.275   1.067  -0.182  1.00  0.00           H  
HETATM  128  H   UNK A   1       9.875   0.947   1.708  1.00  0.00           H  
HETATM  129  H   UNK A   1      10.129  -0.785   1.383  1.00  0.00           H  
HETATM  130  H   UNK A   1      10.961  -0.236  -0.888  1.00  0.00           H  
HETATM  131  H   UNK A   1      10.707   1.495  -0.563  1.00  0.00           H  
HETATM  132  H   UNK A   1      12.307   1.375   1.328  1.00  0.00           H  
HETATM  133  H   UNK A   1      12.561  -0.356   1.002  1.00  0.00           H  
HETATM  134  H   UNK A   1      13.393   0.193  -1.268  1.00  0.00           H  
HETATM  135  H   UNK A   1      13.139   1.924  -0.943  1.00  0.00           H  
HETATM  136  H   UNK A   1      14.993   0.072   0.622  1.00  0.00           H  
HETATM  137  H   UNK A   1      14.739   1.804   0.947  1.00  0.00           H  
CONECT    1   13    3   53   54                                       
CONECT    2   24   55   56   57                                       
CONECT    3    1   17   58   59                                       
CONECT    4   17   20   60   61                                       
CONECT    5   20    6   62   63                                       
CONECT    6    5   24   64   65                                       
CONECT    7    8   13   66                                            
CONECT    8   11    9    7   67                                       
CONECT    9    8   10   68   69                                       
CONECT   10    9   70                                                 
CONECT   11    8   12   71   72                                       
CONECT   12   11   45                                                 
CONECT   13    7   28   28    1                                       
CONECT   14   29   26   26   15                                       
CONECT   15   14   16   73   74                                       
CONECT   16   15   18   75   76                                       
CONECT   17    3    4   77   78                                       
CONECT   18   16   19   79   80                                       
CONECT   19   18   21   81   82                                       
CONECT   20    4    5   83   84                                       
CONECT   21   19   22   85   86                                       
CONECT   22   21   23   87   88                                       
CONECT   23   22   25   89   90                                       
CONECT   24    6    2   91   92                                       
CONECT   25   23   30   93   94                                       
CONECT   26   14   14                                                 
CONECT   27   40   40                                                 
CONECT   28   13   13                                                 
CONECT   29   43   14                                                 
CONECT   30   25   32   95   96                                       
CONECT   31   51   33   97   98                                       
CONECT   32   30   34   99  100                                       
CONECT   33   31   35  101  102                                       
CONECT   34   32   36  103  104                                       
CONECT   35   33   37  105  106                                       
CONECT   36   38   34  107  108                                       
CONECT   37   35   39  109  110                                       
CONECT   38   36  111  112  113                                       
CONECT   39   37  114  115  116                                       
CONECT   40   27   27   42   52                                       
CONECT   41   43   52  117  118                                       
CONECT   42   40   44  119  120                                       
CONECT   43   45   41   29  121                                       
CONECT   44   42   46  122  123                                       
CONECT   45   12   43  124  125                                       
CONECT   46   44   47  126  127                                       
CONECT   47   46   48  128  129                                       
CONECT   48   47   49  130  131                                       
CONECT   49   48   50  132  133                                       
CONECT   50   49   51  134  135                                       
CONECT   51   50   31  136  137                                       
CONECT   52   40   41                                                 
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    2                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69    9                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   17                                                      
CONECT   78   17                                                      
CONECT   79   18                                                      
CONECT   80   18                                                      
CONECT   81   19                                                      
CONECT   82   19                                                      
CONECT   83   20                                                      
CONECT   84   20                                                      
CONECT   85   21                                                      
CONECT   86   21                                                      
CONECT   87   22                                                      
CONECT   88   22                                                      
CONECT   89   23                                                      
CONECT   90   23                                                      
CONECT   91   24                                                      
CONECT   92   24                                                      
CONECT   93   25                                                      
CONECT   94   25                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   31                                                      
CONECT   98   31                                                      
CONECT   99   32                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   34                                                      
CONECT  105   35                                                      
CONECT  106   35                                                      
CONECT  107   36                                                      
CONECT  108   36                                                      
CONECT  109   37                                                      
CONECT  110   37                                                      
CONECT  111   38                                                      
CONECT  112   38                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
CONECT  115   39                                                      
CONECT  116   39                                                      
CONECT  117   41                                                      
CONECT  118   41                                                      
CONECT  119   42                                                      
CONECT  120   42                                                      
CONECT  121   43                                                      
CONECT  122   44                                                      
CONECT  123   44                                                      
CONECT  124   45                                                      
CONECT  125   45                                                      
CONECT  126   46                                                      
CONECT  127   46                                                      
CONECT  128   47                                                      
CONECT  129   47                                                      
CONECT  130   48                                                      
CONECT  131   48                                                      
CONECT  132   49                                                      
CONECT  133   49                                                      
CONECT  134   50                                                      
CONECT  135   50                                                      
CONECT  136   51                                                      
CONECT  137   51                                                      
MASTER        0    0    0    0    0    0    0    0  137    0  137    0
END
