COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.091   1.423  -0.295  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.629   2.165  -1.284  1.00  0.00           C  
HETATM    3  O   UNL     1       0.031   2.440  -2.263  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.384  -1.291   0.313  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.591  -2.083   1.435  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.881  -3.425   1.286  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.965  -3.981   0.021  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.759  -3.193  -1.098  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.468  -1.850  -0.955  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.721   3.224   0.811  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.733   3.138  -2.452  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.050   2.652  -1.172  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.880   1.957  -0.184  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.317   2.656   1.027  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.242   0.675  -0.390  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.800   0.064  -1.343  1.00  0.00           O  
HETATM   17  N   UNL     1      -4.095   0.071   0.461  1.00  0.00           N  
HETATM   18 CL   UNL     1      -5.329  -5.668  -0.162  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -6.581   4.521   1.859  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.177   3.954   2.076  1.00  0.00           C  
HETATM   21  C   UNL     1       2.100   1.506  -1.306  1.00  0.00           C  
HETATM   22  C   UNL     1       1.202   0.905  -0.433  1.00  0.00           C  
HETATM   23  C   UNL     1       1.586  -0.211   0.305  1.00  0.00           C  
HETATM   24  C   UNL     1       2.861  -0.722   0.170  1.00  0.00           C  
HETATM   25  C   UNL     1       3.763  -0.119  -0.706  1.00  0.00           C  
HETATM   26  C   UNL     1       3.373   0.994  -1.448  1.00  0.00           C  
HETATM   27  F   UNL     1       0.711  -0.793   1.153  1.00  0.00           F  
HETATM   28  C   UNL     1       5.557  -1.177  -2.079  1.00  0.00           C  
HETATM   29  C   UNL     1       5.135  -0.666  -0.852  1.00  0.00           C  
HETATM   30  C   UNL     1       6.005  -0.670   0.235  1.00  0.00           C  
HETATM   31  C   UNL     1       7.280  -1.180   0.093  1.00  0.00           C  
HETATM   32  C   UNL     1       7.694  -1.686  -1.126  1.00  0.00           C  
HETATM   33  C   UNL     1       6.832  -1.688  -2.208  1.00  0.00           C  
HETATM   34  S   UNL     1       5.481  -0.026   1.789  1.00  0.00           S  
HETATM   35  C   UNL     1      -2.304   4.146  -1.383  1.00  0.00           C  
HETATM   36  O   UNL     1       4.271  -0.719   2.065  1.00  0.00           O  
HETATM   37  O   UNL     1       6.616  -0.171   2.630  1.00  0.00           O  
HETATM   38  C   UNL     1       5.149   1.727   1.464  1.00  0.00           C  
HETATM   39  H   UNL     1      -0.598   1.252   0.514  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.525  -1.651   2.422  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.042  -4.042   2.158  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.825  -3.629  -2.084  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.307  -1.236  -1.828  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.706   3.922  -0.026  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.412   2.409   0.592  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.154   3.106  -3.375  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.800   2.941  -2.559  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.626   3.470   1.246  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.332   1.958   1.864  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.509   0.580   1.176  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.566   5.219   1.022  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.272   3.707   1.640  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.906   5.041   2.760  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.192   3.255   2.912  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.486   4.768   2.294  1.00  0.00           H  
HETATM   56  H   UNL     1       1.800   2.372  -1.877  1.00  0.00           H  
HETATM   57  H   UNL     1       3.160  -1.587   0.743  1.00  0.00           H  
HETATM   58  H   UNL     1       4.070   1.462  -2.127  1.00  0.00           H  
HETATM   59  H   UNL     1       4.886  -1.176  -2.925  1.00  0.00           H  
HETATM   60  H   UNL     1       7.958  -1.180   0.934  1.00  0.00           H  
HETATM   61  H   UNL     1       8.692  -2.083  -1.233  1.00  0.00           H  
HETATM   62  H   UNL     1       7.160  -2.085  -3.158  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.443   4.776  -1.603  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.089   4.612  -0.787  1.00  0.00           H  
HETATM   65  H   UNL     1       4.373   1.815   0.703  1.00  0.00           H  
HETATM   66  H   UNL     1       4.815   2.211   2.382  1.00  0.00           H  
HETATM   67  H   UNL     1       6.061   2.210   1.110  1.00  0.00           H  
CONECT    1   22    2   39                                            
CONECT    2    3    3    1   12                                       
CONECT    3    2    2                                                 
CONECT    4    5   17    9    9                                       
CONECT    5    6    6    4   40                                       
CONECT    6    5    5    7   41                                       
CONECT    7    6   18    8    8                                       
CONECT    8    7    7    9   42                                       
CONECT    9    4    4    8   43                                       
CONECT   10   14   20   44   45                                       
CONECT   11   35   12   46   47                                       
CONECT   12    2   35   11   13                                       
CONECT   13   12   15   14                                            
CONECT   14   13   10   48   49                                       
CONECT   15   16   16   13   17                                       
CONECT   16   15   15                                                 
CONECT   17   15    4   50                                            
CONECT   18    7                                                      
CONECT   19   20   51   52   53                                       
CONECT   20   10   19   54   55                                       
CONECT   21   26   22   22   56                                       
CONECT   22   21   21   23    1                                       
CONECT   23   24   24   22   27                                       
CONECT   24   25   23   23   57                                       
CONECT   25   29   26   26   24                                       
CONECT   26   25   25   21   58                                       
CONECT   27   23                                                      
CONECT   28   33   33   29   59                                       
CONECT   29   30   30   28   25                                       
CONECT   30   31   34   29   29                                       
CONECT   31   32   32   30   60                                       
CONECT   32   31   31   33   61                                       
CONECT   33   32   28   28   62                                       
CONECT   34   36   36   37   37                                       
CONECT   34   30   38                                                 
CONECT   35   11   12   63   64                                       
CONECT   36   34   34                                                 
CONECT   37   34   34                                                 
CONECT   38   34   65   66   67                                       
CONECT   39    1                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   24                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
