COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   1      -7.992   4.271  -2.756  1.00  0.00           N  
HETATM    2  C   UNK A   1      -7.598   2.867  -2.572  1.00  0.00           C  
HETATM    3  C   UNK A   1      -6.106   2.790  -2.391  1.00  0.00           C  
HETATM    4  O   UNK A   1      -5.439   3.802  -2.423  1.00  0.00           O  
HETATM    5  C   UNK A   1      -8.314   2.302  -1.374  1.00  0.00           C  
HETATM    6  C   UNK A   1      -7.617   1.860  -0.266  1.00  0.00           C  
HETATM    7  C   UNK A   1      -8.311   1.336   0.814  1.00  0.00           C  
HETATM    8  C   UNK A   1      -9.701   1.275   0.789  1.00  0.00           C  
HETATM    9  O   UNK A   1     -10.377   0.771   1.857  1.00  0.00           O  
HETATM   10  C   UNK A   1     -10.394   1.723  -0.321  1.00  0.00           C  
HETATM   11  C   UNK A   1      -9.695   2.228  -1.398  1.00  0.00           C  
HETATM   12  O   UNK A   6      -3.176  -4.415  -0.725  1.00  0.00           O  
HETATM   13  C   UNK A   6      -3.384  -3.283  -1.482  1.00  0.00           C  
HETATM   14  C   UNK A   6      -4.627  -2.705  -1.647  1.00  0.00           C  
HETATM   15  C   UNK A   6      -4.726  -1.491  -2.311  1.00  0.00           C  
HETATM   16 CL   UNK A   6      -6.049  -3.481  -1.025  1.00  0.00          Cl  
HETATM   17  C   UNK A   6      -2.268  -2.735  -2.112  1.00  0.00           C  
HETATM   18  C   UNK A   6      -2.371  -1.522  -2.758  1.00  0.00           C  
HETATM   19  C   UNK A   6      -3.590  -0.869  -2.799  1.00  0.00           C  
HETATM   20  C   UNK A   6      -3.642   0.549  -3.300  1.00  0.00           C  
HETATM   21  C   UNK A   6      -4.055   1.477  -2.153  1.00  0.00           C  
HETATM   22  C   UNK A   6      -3.660   0.943  -0.806  1.00  0.00           C  
HETATM   23  O   ACE A   2      -4.045  -0.153  -0.472  1.00  0.00           O  
HETATM   24  N   UNK A   6      -5.521   1.597  -2.196  1.00  0.00           N  
HETATM   25  N   UNK A   3      -2.894   1.645   0.047  1.00  0.00           N  
HETATM   26  O   UNK A   1      -7.649   0.867   1.904  1.00  0.00           O  
HETATM   27  C   UNK A   1      -6.517   1.496   2.297  1.00  0.00           C  
HETATM   28  C   UNK A   3      -5.301   1.130   1.725  1.00  0.00           C  
HETATM   29  C   UNK A   1      -6.553   2.489   3.262  1.00  0.00           C  
HETATM   30  C   UNK A   1      -5.378   3.115   3.650  1.00  0.00           C  
HETATM   31  O   UNK A   1      -5.410   4.081   4.605  1.00  0.00           O  
HETATM   32  C   UNK A   3      -4.171   2.750   3.065  1.00  0.00           C  
HETATM   33  C   UNK A   3      -4.135   1.757   2.109  1.00  0.00           C  
HETATM   34  C   UNK A   3      -2.821   1.346   1.480  1.00  0.00           C  
HETATM   35  C   UNK A   3      -2.511  -0.068   1.776  1.00  0.00           C  
HETATM   36  O   UNK A   3      -3.445  -0.850   1.645  1.00  0.00           O  
HETATM   37  N   UNK A   4      -1.400  -0.631   2.206  1.00  0.00           N  
HETATM   38  C   UNK A   4      -0.311  -1.146   1.423  1.00  0.00           C  
HETATM   39  C   UNK A   4       1.017  -1.073   2.110  1.00  0.00           C  
HETATM   40  O   UNK A   4       1.191  -1.735   3.118  1.00  0.00           O  
HETATM   41  C   UNK A   6      -0.542  -2.543   0.913  1.00  0.00           C  
HETATM   42  C   UNK A   6      -1.754  -2.917   0.381  1.00  0.00           C  
HETATM   43  C   UNK A   6      -1.945  -4.197  -0.137  1.00  0.00           C  
HETATM   44  C   UNK A   6      -0.952  -5.148  -0.070  1.00  0.00           C  
HETATM   45  O   UNK A   6      -1.150  -6.411  -0.535  1.00  0.00           O  
HETATM   46  C   UNK A   6       0.261  -4.765   0.462  1.00  0.00           C  
HETATM   47  C   UNK A   6       0.472  -3.486   0.959  1.00  0.00           C  
HETATM   48  N   UNK A   5       2.012  -0.298   1.676  1.00  0.00           N  
HETATM   49  C   UNK A   5       3.410  -0.640   1.791  1.00  0.00           C  
HETATM   50  C   UNK A   5       3.860  -1.263   0.467  1.00  0.00           C  
HETATM   51  O   UNK A   5       3.065  -1.410  -0.429  1.00  0.00           O  
HETATM   52  C   UNK A   5       4.325   0.555   1.899  1.00  0.00           C  
HETATM   53  C   UNK A   5       5.100   0.736   3.029  1.00  0.00           C  
HETATM   54  C   UNK A   5       6.068   1.720   3.042  1.00  0.00           C  
HETATM   55 CL   UNK A   5       7.076   1.928   4.440  1.00  0.00          Cl  
HETATM   56  C   UNK A   5       6.237   2.546   1.944  1.00  0.00           C  
HETATM   57  O   UNK A   5       7.286   3.414   1.940  1.00  0.00           O  
HETATM   58  C   UNK A   5       5.382   2.447   0.844  1.00  0.00           C  
HETATM   59  C   UNK A   5       4.427   1.440   0.835  1.00  0.00           C  
HETATM   60  N   UNK A   6       5.153  -1.585   0.382  1.00  0.00           N  
HETATM   61  C   UNK A   6       5.959  -1.608  -0.821  1.00  0.00           C  
HETATM   62  O   UNK A   6       1.345  -5.617   0.487  1.00  0.00           O  
HETATM   63  C   UNK A   6       2.082  -4.251  -1.294  1.00  0.00           C  
HETATM   64  C   UNK A   6       3.661  -4.908   0.390  1.00  0.00           C  
HETATM   65  C   UNK A   6       2.376  -4.928  -0.115  1.00  0.00           C  
HETATM   66  C   UNK A   6       4.307  -3.379  -1.348  1.00  0.00           C  
HETATM   67  C   UNK A   6       3.049  -3.485  -1.910  1.00  0.00           C  
HETATM   68  C   UNK A   6       4.622  -4.124  -0.226  1.00  0.00           C  
HETATM   69  C   UNK A   6       5.318  -2.429  -1.935  1.00  0.00           C  
HETATM   70 CL   UNK A   6       4.055  -5.835   1.804  1.00  0.00          Cl  
HETATM   71  O   UNK A   6       7.372   0.190  -1.260  1.00  0.00           O  
HETATM   72  C   UNK A   6       6.216  -0.183  -1.264  1.00  0.00           C  
HETATM   73  O   UNK A   6       4.674  -1.570  -2.874  1.00  0.00           O  
HETATM   74  N   UNK A   7       5.193   0.629  -1.614  1.00  0.00           N  
HETATM   75  O   UNK A   5       5.509   5.088   1.515  1.00  0.00           O  
HETATM   76  C   UNK A   5       5.563   4.784   0.190  1.00  0.00           C  
HETATM   77  C   UNK A   5       5.475   3.445  -0.238  1.00  0.00           C  
HETATM   78  C   UNK A   5       5.704   5.829  -0.696  1.00  0.00           C  
HETATM   79  C   UNK A   5       5.713   5.569  -2.055  1.00  0.00           C  
HETATM   80  O   UNK A   5       5.844   6.583  -2.950  1.00  0.00           O  
HETATM   81  C   UNK A   7       5.585   4.265  -2.489  1.00  0.00           C  
HETATM   82  C   UNK A   7       5.478   3.178  -1.605  1.00  0.00           C  
HETATM   83  C   UNK A   7       5.364   1.875  -2.309  1.00  0.00           C  
HETATM   84  C   UNK A   7       6.488   1.760  -3.306  1.00  0.00           C  
HETATM   85  O   UNK A   7       7.011   0.689  -3.505  1.00  0.00           O  
HETATM   86  O   UNK A   7       6.907   2.846  -3.973  1.00  0.00           O  
HETATM   87  H   UNK A   1      -7.545   4.668  -3.568  1.00  0.00           H  
HETATM   88  H   UNK A   1      -8.995   4.360  -2.816  1.00  0.00           H  
HETATM   89  H   UNK A   1      -7.880   2.293  -3.458  1.00  0.00           H  
HETATM   90  H   UNK A   1      -6.540   1.930  -0.239  1.00  0.00           H  
HETATM   91  H   UNK A   1     -10.615   1.434   2.520  1.00  0.00           H  
HETATM   92  H   UNK A   1     -11.473   1.679  -0.343  1.00  0.00           H  
HETATM   93  H   UNK A   1     -10.231   2.566  -2.273  1.00  0.00           H  
HETATM   94  H   UNK A   6      -1.325  -3.262  -2.099  1.00  0.00           H  
HETATM   95  H   UNK A   6      -5.694  -1.035  -2.446  1.00  0.00           H  
HETATM   96  H   UNK A   6      -1.509  -1.080  -3.235  1.00  0.00           H  
HETATM   97  H   UNK A   6      -2.658   0.842  -3.672  1.00  0.00           H  
HETATM   98  H   UNK A   6      -4.371   0.626  -4.110  1.00  0.00           H  
HETATM   99  H   UNK A   6      -3.618   2.463  -2.308  1.00  0.00           H  
HETATM  100  H   ACE A   2      -6.069   0.805  -2.082  1.00  0.00           H  
HETATM  101  H   UNK A   3      -2.366   2.394  -0.307  1.00  0.00           H  
HETATM  102  H   UNK A   3      -2.038   1.993   1.913  1.00  0.00           H  
HETATM  103  H   UNK A   3      -5.290   0.346   0.984  1.00  0.00           H  
HETATM  104  H   UNK A   1      -7.493   2.772   3.712  1.00  0.00           H  
HETATM  105  H   UNK A   1      -5.298   3.747   5.505  1.00  0.00           H  
HETATM  106  H   UNK A   3      -3.258   3.247   3.359  1.00  0.00           H  
HETATM  107  H   UNK A   4      -1.304  -0.697   3.188  1.00  0.00           H  
HETATM  108  H   UNK A   4      -0.231  -0.495   0.520  1.00  0.00           H  
HETATM  109  H   UNK A   6      -2.569  -2.209   0.364  1.00  0.00           H  
HETATM  110  H   UNK A   6      -0.917  -6.529  -1.466  1.00  0.00           H  
HETATM  111  H   UNK A   6       1.431  -3.227   1.381  1.00  0.00           H  
HETATM  112  H   UNK A   5       1.775   0.545   1.252  1.00  0.00           H  
HETATM  113  H   UNK A   5       3.602  -1.339   2.595  1.00  0.00           H  
HETATM  114  H   UNK A   5       4.974   0.091   3.885  1.00  0.00           H  
HETATM  115  H   UNK A   5       8.095   3.052   1.555  1.00  0.00           H  
HETATM  116  H   UNK A   5       3.740   1.361   0.005  1.00  0.00           H  
HETATM  117  H   UNK A   6       5.602  -1.832   1.218  1.00  0.00           H  
HETATM  118  H   UNK A   6       6.935  -2.072  -0.585  1.00  0.00           H  
HETATM  119  H   UNK A   6       1.097  -4.325  -1.735  1.00  0.00           H  
HETATM  120  H   UNK A   6       2.812  -2.973  -2.832  1.00  0.00           H  
HETATM  121  H   UNK A   6       5.629  -4.096   0.166  1.00  0.00           H  
HETATM  122  H   UNK A   6       6.086  -3.010  -2.447  1.00  0.00           H  
HETATM  123  H   UNK A   6       4.247  -2.037  -3.606  1.00  0.00           H  
HETATM  124  H   UNK A   7       4.274   0.336  -1.389  1.00  0.00           H  
HETATM  125  H   UNK A   7       4.447   1.982  -2.932  1.00  0.00           H  
HETATM  126  H   UNK A   5       6.372   5.102   1.951  1.00  0.00           H  
HETATM  127  H   UNK A   5       5.809   6.839  -0.332  1.00  0.00           H  
HETATM  128  H   UNK A   5       6.760   6.783  -3.186  1.00  0.00           H  
HETATM  129  H   UNK A   7       5.540   4.095  -3.555  1.00  0.00           H  
HETATM  130  H   UNK A   7       7.630   2.723  -4.603  1.00  0.00           H  
CONECT    1    2   87   88                                            
CONECT    2    1    3    5   89                                       
CONECT    3    2    4    4   24                                       
CONECT    4    3    3                                                 
CONECT    5    2    6    6   11                                       
CONECT    6    5    5    7   90                                       
CONECT    7    6    8    8   26                                       
CONECT    8    7    7    9   10                                       
CONECT    9    8   91                                                 
CONECT   10    8   11   11   92                                       
CONECT   11    5   10   10   93                                       
CONECT   12   13   43                                                 
CONECT   13   12   14   17   17                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   19   95                                       
CONECT   16   14                                                      
CONECT   17   13   13   18   94                                       
CONECT   18   17   19   19   96                                       
CONECT   19   15   18   18   20                                       
CONECT   20   19   21   97   98                                       
CONECT   21   20   22   24   99                                       
CONECT   22   21   23   23   25                                       
CONECT   23   22   22                                                 
CONECT   24   21  100    3                                            
CONECT   25   34  101   22                                            
CONECT   26   27    7                                                 
CONECT   27   26   28   29   29                                       
CONECT   28   27   33   33  103                                       
CONECT   29   27   27   30  104                                       
CONECT   30   29   31   32   32                                       
CONECT   31   30  105                                                 
CONECT   32   30   30   33  106                                       
CONECT   33   28   28   32   34                                       
CONECT   34   25   33   35  102                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   38  107   35                                            
CONECT   38   37   39   41  108                                       
CONECT   39   38   40   40   48                                       
CONECT   40   39   39                                                 
CONECT   41   38   42   42   47                                       
CONECT   42   41   41   43  109                                       
CONECT   43   42   44   44   12                                       
CONECT   44   43   43   45   46                                       
CONECT   45   44  110                                                 
CONECT   46   44   47   47   62                                       
CONECT   47   41   46   46  111                                       
CONECT   48   49  112   39                                            
CONECT   49   52   48   50  113                                       
CONECT   50   51   51   49   60                                       
CONECT   51   50   50                                                 
CONECT   52   53   53   59   49                                       
CONECT   53   54   52   52  114                                       
CONECT   54   55   56   56   53                                       
CONECT   55   54                                                      
CONECT   56   57   54   54   58                                       
CONECT   57   56  115                                                 
CONECT   58   56   59   59   77                                       
CONECT   59   58   58   52  116                                       
CONECT   60   61  117   50                                            
CONECT   61   60   72   69  118                                       
CONECT   62   65   46                                                 
CONECT   63   65   67   67  119                                       
CONECT   64   65   65   68   70                                       
CONECT   65   62   63   64   64                                       
CONECT   66   67   68   68   69                                       
CONECT   67   63   63   66  120                                       
CONECT   68   66   66   64  121                                       
CONECT   69   66   61   73  122                                       
CONECT   70   64                                                      
CONECT   71   72   72                                                 
CONECT   72   71   71   61   74                                       
CONECT   73   69  123                                                 
CONECT   74   83  124   72                                            
CONECT   75   76  126                                                 
CONECT   76   75   77   78   78                                       
CONECT   77   76   82   82   58                                       
CONECT   78   76   76   79  127                                       
CONECT   79   78   80   81   81                                       
CONECT   80   79  128                                                 
CONECT   81   79   79   82  129                                       
CONECT   82   77   77   81   83                                       
CONECT   83   74   82   84  125                                       
CONECT   84   83   85   85   86                                       
CONECT   85   84   84                                                 
CONECT   86   84  130                                                 
CONECT   87    1                                                      
CONECT   88    1                                                      
CONECT   89    2                                                      
CONECT   90    6                                                      
CONECT   91    9                                                      
CONECT   92   10                                                      
CONECT   93   11                                                      
CONECT   94   17                                                      
CONECT   95   15                                                      
CONECT   96   18                                                      
CONECT   97   20                                                      
CONECT   98   20                                                      
CONECT   99   21                                                      
CONECT  100   24                                                      
CONECT  101   25                                                      
CONECT  102   34                                                      
CONECT  103   28                                                      
CONECT  104   29                                                      
CONECT  105   31                                                      
CONECT  106   32                                                      
CONECT  107   37                                                      
CONECT  108   38                                                      
CONECT  109   42                                                      
CONECT  110   45                                                      
CONECT  111   47                                                      
CONECT  112   48                                                      
CONECT  113   49                                                      
CONECT  114   53                                                      
CONECT  115   57                                                      
CONECT  116   59                                                      
CONECT  117   60                                                      
CONECT  118   61                                                      
CONECT  119   63                                                      
CONECT  120   67                                                      
CONECT  121   68                                                      
CONECT  122   69                                                      
CONECT  123   73                                                      
CONECT  124   74                                                      
CONECT  125   83                                                      
CONECT  126   75                                                      
CONECT  127   78                                                      
CONECT  128   80                                                      
CONECT  129   81                                                      
CONECT  130   86                                                      
MASTER        0    0    0    0    0    0    0    0  130    0  130    0
END
