COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.780  -1.067   0.402  1.00  0.00           C  
HETATM    2  C   UNL     1       7.774  -1.675  -0.865  1.00  0.00           C  
HETATM    3  C   UNL     1       8.283  -2.979  -0.978  1.00  0.00           C  
HETATM    4  C   UNL     1       6.920   0.306  -1.093  1.00  0.00           C  
HETATM    5  N   UNL     1       8.746  -3.576   0.116  1.00  0.00           N  
HETATM    6  N   UNL     1       8.259  -1.745   1.441  1.00  0.00           N  
HETATM    7  C   UNL     1       3.446  -3.611   2.808  1.00  0.00           C  
HETATM    8  C   UNL     1       2.792  -2.489   3.267  1.00  0.00           C  
HETATM    9  C   UNL     1       1.421  -2.508   3.485  1.00  0.00           C  
HETATM   10  C   UNL     1       0.696  -3.641   3.245  1.00  0.00           C  
HETATM   11  C   UNL     1       1.338  -4.790   2.779  1.00  0.00           C  
HETATM   12  C   UNL     1       2.727  -4.774   2.552  1.00  0.00           C  
HETATM   13  N   UNL     1       3.079  -6.027   2.102  1.00  0.00           N  
HETATM   14  C   UNL     1       1.970  -6.826   2.037  1.00  0.00           C  
HETATM   15  C   UNL     1       0.884  -6.135   2.419  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.529  -6.653   2.489  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.265  -6.304   1.193  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.637  -6.927   1.212  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.622  -6.224   1.136  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.769  -8.264   1.312  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.103  -8.870   1.329  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.588  -9.076  -0.107  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.041 -10.220   2.046  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.390  -4.849   1.079  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.524  -4.278  -0.134  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.541  -4.968  -1.131  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.653  -2.781  -0.252  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.309  -2.367  -1.615  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.017  -2.838  -2.661  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.940  -3.606  -2.473  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.702  -2.458  -3.913  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.507  -3.005  -4.990  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.011  -2.471  -6.309  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.031  -3.152  -7.006  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.576  -2.662  -8.216  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.101  -1.491  -8.729  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.081  -0.809  -8.032  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.540  -1.302  -6.825  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.092  -2.367   0.060  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.194  -0.840   0.062  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.634  -0.426   0.374  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.736   1.100   0.377  1.00  0.00           C  
HETATM   43  N   UNL     1      -6.119   1.498   0.676  1.00  0.00           N  
HETATM   44  C   UNL     1      -6.255   2.961   0.687  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.707   3.358   0.959  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.172   2.723   2.271  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.648   3.054   2.502  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.107   2.428   3.794  1.00  0.00           C  
HETATM   49  O   UNL     1      -9.333   1.785   4.462  1.00  0.00           O  
HETATM   50  O   UNL     1     -11.375   2.587   4.204  1.00  0.00           O  
HETATM   51  O   UNL     1      -5.806   3.515  -0.559  1.00  0.00           O  
HETATM   52  S   UNL     1      -5.144   3.697   1.945  1.00  0.00           S  
HETATM   53  C   UNL     1      -4.236   4.789   0.785  1.00  0.00           C  
HETATM   54  O   UNL     1      -3.077   4.098   0.290  1.00  0.00           O  
HETATM   55  C   UNL     1      -5.221   4.814  -0.432  1.00  0.00           C  
HETATM   56  C   UNL     1      -4.243   5.021  -1.615  1.00  0.00           C  
HETATM   57  O   UNL     1      -4.637   4.225  -2.734  1.00  0.00           O  
HETATM   58  C   UNL     1      -2.858   4.552  -1.056  1.00  0.00           C  
HETATM   59  C   UNL     1      -1.874   5.724  -1.056  1.00  0.00           C  
HETATM   60  O   UNL     1      -0.583   5.261  -0.655  1.00  0.00           O  
HETATM   61  P   UNL     1       0.700   6.228  -0.543  1.00  0.00           P  
HETATM   62  O   UNL     1       0.454   7.311   0.623  1.00  0.00           O  
HETATM   63  O   UNL     1       0.905   6.927  -1.831  1.00  0.00           O  
HETATM   64  O   UNL     1       2.004   5.351  -0.195  1.00  0.00           O  
HETATM   65  P   UNL     1       3.588   5.633  -0.248  1.00  0.00           P  
HETATM   66  O   UNL     1       4.088   5.602  -1.779  1.00  0.00           O  
HETATM   67  O   UNL     1       3.873   6.963   0.337  1.00  0.00           O  
HETATM   68  O   UNL     1       4.364   4.500   0.592  1.00  0.00           O  
HETATM   69  C   UNL     1       5.774   4.530   0.822  1.00  0.00           C  
HETATM   70  C   UNL     1       6.182   3.310   1.651  1.00  0.00           C  
HETATM   71  O   UNL     1       5.987   2.110   0.884  1.00  0.00           O  
HETATM   72  C   UNL     1       7.679   3.394   2.004  1.00  0.00           C  
HETATM   73  O   UNL     1       7.858   3.420   3.422  1.00  0.00           O  
HETATM   74  C   UNL     1       8.283   2.101   1.403  1.00  0.00           C  
HETATM   75  O   UNL     1       9.241   1.524   2.294  1.00  0.00           O  
HETATM   76  C   UNL     1       7.031   1.191   1.267  1.00  0.00           C  
HETATM   77  N   UNL     1       7.236   0.180   0.227  1.00  0.00           N  
HETATM   78  N   UNL     1       7.236  -0.783  -1.732  1.00  0.00           N  
HETATM   79  C   UNL     1       8.731  -2.964   1.286  1.00  0.00           C  
HETATM   80  N   UNL     1       8.302  -3.628  -2.200  1.00  0.00           N  
HETATM   81  H   UNL     1       6.473   1.180  -1.543  1.00  0.00           H  
HETATM   82  H   UNL     1       4.513  -3.587   2.642  1.00  0.00           H  
HETATM   83  H   UNL     1       3.352  -1.586   3.461  1.00  0.00           H  
HETATM   84  H   UNL     1       0.924  -1.620   3.845  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.370  -3.648   3.417  1.00  0.00           H  
HETATM   86  H   UNL     1       3.978  -6.302   1.866  1.00  0.00           H  
HETATM   87  H   UNL     1       1.966  -7.856   1.711  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.514  -7.735   2.619  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.043  -6.193   3.333  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.702  -6.689   0.342  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.980  -8.826   1.372  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.794  -8.210   1.855  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.581  -9.526  -0.094  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.632  -8.114  -0.617  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.897  -9.735  -0.633  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.695 -10.073   3.069  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.034 -10.670   2.059  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.350 -10.879   1.520  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.376  -4.297   1.876  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.975  -2.301   0.455  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.573  -1.754  -1.765  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.430  -4.092  -4.986  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.549  -2.714  -4.850  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.621  -4.067  -6.606  1.00  0.00           H  
HETATM  105  H   UNL     1       0.190  -3.195  -8.760  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.745  -1.108  -9.674  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.490   0.106  -8.433  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.309  -0.772  -6.283  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.760  -2.774  -0.700  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.377  -2.752   1.039  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.527  -0.433   0.821  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.909  -0.455  -0.917  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.302  -0.834  -0.385  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.919  -0.811   1.353  1.00  0.00           H  
HETATM  115  H   UNL     1      -4.069   1.508   1.136  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.451   1.485  -0.602  1.00  0.00           H  
HETATM  117  H   UNL     1      -6.764   1.079   0.023  1.00  0.00           H  
HETATM  118  H   UNL     1      -7.779   4.443   1.035  1.00  0.00           H  
HETATM  119  H   UNL     1      -8.339   3.008   0.142  1.00  0.00           H  
HETATM  120  H   UNL     1      -8.047   1.642   2.216  1.00  0.00           H  
HETATM  121  H   UNL     1      -7.579   3.117   3.096  1.00  0.00           H  
HETATM  122  H   UNL     1      -9.774   4.135   2.557  1.00  0.00           H  
HETATM  123  H   UNL     1     -10.242   2.660   1.677  1.00  0.00           H  
HETATM  124  H   UNL     1     -11.623   2.167   5.039  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.014   5.774   1.196  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.970   5.603  -0.351  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.200   6.074  -1.894  1.00  0.00           H  
HETATM  128  H   UNL     1      -4.060   4.315  -3.504  1.00  0.00           H  
HETATM  129  H   UNL     1      -2.468   3.739  -1.668  1.00  0.00           H  
HETATM  130  H   UNL     1      -1.813   6.147  -2.059  1.00  0.00           H  
HETATM  131  H   UNL     1      -2.218   6.488  -0.359  1.00  0.00           H  
HETATM  132  H   UNL     1       0.312   6.923   1.497  1.00  0.00           H  
HETATM  133  H   UNL     1       3.933   4.759  -2.226  1.00  0.00           H  
HETATM  134  H   UNL     1       6.299   4.511  -0.133  1.00  0.00           H  
HETATM  135  H   UNL     1       6.035   5.440   1.362  1.00  0.00           H  
HETATM  136  H   UNL     1       5.587   3.267   2.564  1.00  0.00           H  
HETATM  137  H   UNL     1       8.131   4.274   1.547  1.00  0.00           H  
HETATM  138  H   UNL     1       8.782   3.472   3.701  1.00  0.00           H  
HETATM  139  H   UNL     1       8.730   2.297   0.429  1.00  0.00           H  
HETATM  140  H   UNL     1       9.998   2.095   2.481  1.00  0.00           H  
HETATM  141  H   UNL     1       6.795   0.717   2.220  1.00  0.00           H  
HETATM  142  H   UNL     1       9.116  -3.485   2.150  1.00  0.00           H  
HETATM  143  H   UNL     1       7.962  -3.183  -2.991  1.00  0.00           H  
HETATM  144  H   UNL     1       8.657  -4.529  -2.265  1.00  0.00           H  
CONECT    1    6    6    2   77                                       
CONECT    2    3    3    1   78                                       
CONECT    3    5   80    2    2                                       
CONECT    4   77   78   78   81                                       
CONECT    5   79   79    3                                            
CONECT    6   79    1    1                                            
CONECT    7   12    8    8   82                                       
CONECT    8    7    7    9   83                                       
CONECT    9   10   10    8   84                                       
CONECT   10   11    9    9   85                                       
CONECT   11   15   12   12   10                                       
CONECT   12   13   11   11    7                                       
CONECT   13   14   12   86                                            
CONECT   14   15   15   13   87                                       
CONECT   15   16   14   14   11                                       
CONECT   16   17   15   88   89                                       
CONECT   17   18   24   16   90                                       
CONECT   18   19   19   17   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   91                                            
CONECT   21   23   22   20   92                                       
CONECT   22   21   93   94   95                                       
CONECT   23   21   96   97   98                                       
CONECT   24   17   25   99                                            
CONECT   25   24   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   39  100                                       
CONECT   28   29   27  101                                            
CONECT   29   30   30   31   28                                       
CONECT   30   29   29                                                 
CONECT   31   32   29                                                 
CONECT   32   31   33  102  103                                       
CONECT   33   32   38   38   34                                       
CONECT   34   33   35   35  104                                       
CONECT   35   34   34   36  105                                       
CONECT   36   37   37   35  106                                       
CONECT   37   38   36   36  107                                       
CONECT   38   33   33   37  108                                       
CONECT   39   27   40  109  110                                       
CONECT   40   39   41  111  112                                       
CONECT   41   40   42  113  114                                       
CONECT   42   41   43  115  116                                       
CONECT   43   42   44  117                                            
CONECT   44   51   43   52   45                                       
CONECT   45   44   46  118  119                                       
CONECT   46   45   47  120  121                                       
CONECT   47   46   48  122  123                                       
CONECT   48   49   49   47   50                                       
CONECT   49   48   48                                                 
CONECT   50   48  124                                                 
CONECT   51   55   44                                                 
CONECT   52   53   44                                                 
CONECT   53   54   55   52  125                                       
CONECT   54   58   53                                                 
CONECT   55   56   51   53  126                                       
CONECT   56   57   58   55  127                                       
CONECT   57   56  128                                                 
CONECT   58   59   56   54  129                                       
CONECT   59   60   58  130  131                                       
CONECT   60   61   59                                                 
CONECT   61   63   63   62   64                                       
CONECT   61   60                                                      
CONECT   62   61  132                                                 
CONECT   63   61   61                                                 
CONECT   64   61   65                                                 
CONECT   65   68   64   67   67                                       
CONECT   65   66                                                      
CONECT   66   65  133                                                 
CONECT   67   65   65                                                 
CONECT   68   69   65                                                 
CONECT   69   70   68  134  135                                       
CONECT   70   71   72   69  136                                       
CONECT   71   76   70                                                 
CONECT   72   73   74   70  137                                       
CONECT   73   72  138                                                 
CONECT   74   75   76   72  139                                       
CONECT   75   74  140                                                 
CONECT   76   77   71   74  141                                       
CONECT   77    1   76    4                                            
CONECT   78    2    4    4                                            
CONECT   79    5    5    6  142                                       
CONECT   80    3  143  144                                            
CONECT   81    4                                                      
CONECT   82    7                                                      
CONECT   83    8                                                      
CONECT   84    9                                                      
CONECT   85   10                                                      
CONECT   86   13                                                      
CONECT   87   14                                                      
CONECT   88   16                                                      
CONECT   89   16                                                      
CONECT   90   17                                                      
CONECT   91   20                                                      
CONECT   92   21                                                      
CONECT   93   22                                                      
CONECT   94   22                                                      
CONECT   95   22                                                      
CONECT   96   23                                                      
CONECT   97   23                                                      
CONECT   98   23                                                      
CONECT   99   24                                                      
CONECT  100   27                                                      
CONECT  101   28                                                      
CONECT  102   32                                                      
CONECT  103   32                                                      
CONECT  104   34                                                      
CONECT  105   35                                                      
CONECT  106   36                                                      
CONECT  107   37                                                      
CONECT  108   38                                                      
CONECT  109   39                                                      
CONECT  110   39                                                      
CONECT  111   40                                                      
CONECT  112   40                                                      
CONECT  113   41                                                      
CONECT  114   41                                                      
CONECT  115   42                                                      
CONECT  116   42                                                      
CONECT  117   43                                                      
CONECT  118   45                                                      
CONECT  119   45                                                      
CONECT  120   46                                                      
CONECT  121   46                                                      
CONECT  122   47                                                      
CONECT  123   47                                                      
CONECT  124   50                                                      
CONECT  125   53                                                      
CONECT  126   55                                                      
CONECT  127   56                                                      
CONECT  128   57                                                      
CONECT  129   58                                                      
CONECT  130   59                                                      
CONECT  131   59                                                      
CONECT  132   62                                                      
CONECT  133   66                                                      
CONECT  134   69                                                      
CONECT  135   69                                                      
CONECT  136   70                                                      
CONECT  137   72                                                      
CONECT  138   73                                                      
CONECT  139   74                                                      
CONECT  140   75                                                      
CONECT  141   76                                                      
CONECT  142   79                                                      
CONECT  143   80                                                      
CONECT  144   80                                                      
MASTER        0    0    0    0    0    0    0    0  144    0  144    0
END
