COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.143   1.270   0.450  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.172  -0.531  -2.875  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.644  -0.256  -0.162  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.841   0.758   0.153  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.560   0.891   1.495  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.346   0.452   2.015  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.398  -0.107   1.212  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.879   0.178  -0.702  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.123   0.028  -2.077  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.626   2.460   0.212  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.414   1.839   0.910  1.00  0.00           C  
HETATM   12  O   UNL     1      -7.294   1.793  -0.012  1.00  0.00           O  
HETATM   13  O   UNL     1      -6.075   0.863   1.593  1.00  0.00           O  
HETATM   14  N   UNL     1      -5.066   1.192  -0.357  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.958  -0.964  -2.350  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.684  -0.836  -1.018  1.00  0.00           C  
HETATM   17  O   UNL     1       0.508  -1.258  -0.521  1.00  0.00           O  
HETATM   18  C   UNL     1       0.596  -2.538  -0.083  1.00  0.00           C  
HETATM   19  C   UNL     1       1.808  -3.013   0.437  1.00  0.00           C  
HETATM   20  C   UNL     1       1.878  -4.334   0.883  1.00  0.00           C  
HETATM   21  C   UNL     1       0.741  -5.121   0.791  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.418  -4.581   0.267  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.462  -3.328  -0.143  1.00  0.00           N  
HETATM   24  C   UNL     1       2.994  -2.129   0.511  1.00  0.00           C  
HETATM   25  C   UNL     1       4.202  -2.604   1.030  1.00  0.00           C  
HETATM   26  C   UNL     1       5.283  -1.742   1.079  1.00  0.00           C  
HETATM   27  N   UNL     1       5.143  -0.502   0.637  1.00  0.00           N  
HETATM   28  C   UNL     1       3.986  -0.078   0.150  1.00  0.00           C  
HETATM   29  N   UNL     1       2.928  -0.871   0.080  1.00  0.00           N  
HETATM   30  N   UNL     1       3.882   1.226  -0.301  1.00  0.00           N  
HETATM   31  C   UNL     1       5.042   2.118  -0.237  1.00  0.00           C  
HETATM   32  C   UNL     1       4.902   3.216  -1.295  1.00  0.00           C  
HETATM   33  C   UNL     1       6.088   4.178  -1.182  1.00  0.00           C  
HETATM   34  C   UNL     1       6.133   4.760   0.233  1.00  0.00           C  
HETATM   35  N   UNL     1       6.268   3.670   1.208  1.00  0.00           N  
HETATM   36  C   UNL     1       5.117   2.760   1.150  1.00  0.00           C  
HETATM   37  C   UNL     1       0.068  -1.584  -3.264  1.00  0.00           C  
HETATM   38  H   UNL     1      -2.365  -0.644  -3.932  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.293   1.334   2.153  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.147   0.566   3.070  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.459  -0.436   1.632  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.061   0.356  -2.499  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.379   3.471  -0.111  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.894   1.856  -0.655  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.466   2.494   0.905  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.146   2.442   1.778  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.661   0.827   1.234  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.142   1.439  -1.292  1.00  0.00           H  
HETATM   49  H   UNL     1       2.795  -4.734   1.289  1.00  0.00           H  
HETATM   50  H   UNL     1       0.760  -6.147   1.127  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.305  -5.194   0.196  1.00  0.00           H  
HETATM   52  H   UNL     1       4.290  -3.621   1.384  1.00  0.00           H  
HETATM   53  H   UNL     1       6.231  -2.077   1.474  1.00  0.00           H  
HETATM   54  H   UNL     1       3.040   1.550  -0.660  1.00  0.00           H  
HETATM   55  H   UNL     1       5.951   1.547  -0.424  1.00  0.00           H  
HETATM   56  H   UNL     1       4.891   2.766  -2.288  1.00  0.00           H  
HETATM   57  H   UNL     1       3.972   3.762  -1.133  1.00  0.00           H  
HETATM   58  H   UNL     1       7.014   3.639  -1.383  1.00  0.00           H  
HETATM   59  H   UNL     1       5.972   4.986  -1.904  1.00  0.00           H  
HETATM   60  H   UNL     1       6.985   5.434   0.321  1.00  0.00           H  
HETATM   61  H   UNL     1       5.212   5.310   0.429  1.00  0.00           H  
HETATM   62  H   UNL     1       7.133   3.169   1.072  1.00  0.00           H  
HETATM   63  H   UNL     1       4.202   3.319   1.342  1.00  0.00           H  
HETATM   64  H   UNL     1       5.232   1.982   1.904  1.00  0.00           H  
HETATM   65  H   UNL     1       0.722  -0.805  -3.657  1.00  0.00           H  
HETATM   66  H   UNL     1       0.661  -2.308  -2.705  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.436  -2.086  -4.089  1.00  0.00           H  
CONECT    1   14   12   13   13                                       
CONECT    2    9    9   15   38                                       
CONECT    3    7    7    8   16                                       
CONECT    4    5   14    8    8                                       
CONECT    5    6    6    4   39                                       
CONECT    6    5    5    7   40                                       
CONECT    7    6    3    3   41                                       
CONECT    8    4    4    3    9                                       
CONECT    9    8    2    2   42                                       
CONECT   10   11   43   44   45                                       
CONECT   11   12   10   46   47                                       
CONECT   12    1   11                                                 
CONECT   13    1    1                                                 
CONECT   14    4    1   48                                            
CONECT   15   16   16    2   37                                       
CONECT   16    3   17   15   15                                       
CONECT   17   18   16                                                 
CONECT   18   23   23   19   17                                       
CONECT   19   20   20   18   24                                       
CONECT   20   21   19   19   49                                       
CONECT   21   22   22   20   50                                       
CONECT   22   21   21   23   51                                       
CONECT   23   22   18   18                                            
CONECT   24   19   25   25   29                                       
CONECT   25   24   24   26   52                                       
CONECT   26   25   27   27   53                                       
CONECT   27   26   26   28                                            
CONECT   28   29   29   27   30                                       
CONECT   29   24   28   28                                            
CONECT   30   28   31   54                                            
CONECT   31   32   30   36   55                                       
CONECT   32   33   31   56   57                                       
CONECT   33   32   34   58   59                                       
CONECT   34   33   35   60   61                                       
CONECT   35   34   36   62                                            
CONECT   36   31   35   63   64                                       
CONECT   37   15   65   66   67                                       
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   14                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
