COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.245   1.242   2.428  1.00  0.00           C  
HETATM    2  N   UNL     1       4.540  -0.156   2.363  1.00  0.00           N  
HETATM    3  C   UNL     1       0.518  -0.133   0.200  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.498  -2.235   0.754  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.874  -0.346   0.199  1.00  0.00           C  
HETATM    6  C   UNL     1       2.624   3.009  -0.413  1.00  0.00           C  
HETATM    7  C   UNL     1       1.012   0.993  -3.123  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.363  -3.683   1.149  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.170   0.230   0.006  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.566   1.295  -0.351  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.025   0.853  -0.290  1.00  0.00           C  
HETATM   12  C   UNL     1       1.757   0.703   0.004  1.00  0.00           C  
HETATM   13  C   UNL     1       2.526   0.201  -1.191  1.00  0.00           C  
HETATM   14  C   UNL     1       3.705  -0.480  -1.076  1.00  0.00           C  
HETATM   15  C   UNL     1       3.803  -0.107   1.206  1.00  0.00           C  
HETATM   16  C   UNL     1       2.645   0.589   1.218  1.00  0.00           C  
HETATM   17  C   UNL     1       2.224   0.313  -2.541  1.00  0.00           C  
HETATM   18  C   UNL     1       0.634  -1.460   0.573  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.750  -1.688   0.564  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.728   0.428   0.012  1.00  0.00           C  
HETATM   21  C   UNL     1       1.363   2.165  -0.213  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.233   0.702  -0.153  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.639   0.237  -0.083  1.00  0.00           C  
HETATM   24  C   UNL     1       0.598   2.674   1.010  1.00  0.00           C  
HETATM   25  N   UNL     1       3.179  -0.275  -3.222  1.00  0.00           N  
HETATM   26  N   UNL     1       4.122  -0.783  -2.315  1.00  0.00           N  
HETATM   27  N   UNL     1       1.929   1.759   3.388  1.00  0.00           N  
HETATM   28  O   UNL     1       4.278  -0.756   0.123  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.276  -4.491  -0.026  1.00  0.00           O  
HETATM   30  O   UNL     1      -9.027  -0.134  -0.039  1.00  0.00           O  
HETATM   31  H   UNL     1       4.225   0.301   3.158  1.00  0.00           H  
HETATM   32  H   UNL     1       5.374  -0.651   2.386  1.00  0.00           H  
HETATM   33  H   UNL     1       3.122   2.704  -1.334  1.00  0.00           H  
HETATM   34  H   UNL     1       2.350   4.062  -0.480  1.00  0.00           H  
HETATM   35  H   UNL     1       3.297   2.861   0.431  1.00  0.00           H  
HETATM   36  H   UNL     1       1.258   2.025  -3.373  1.00  0.00           H  
HETATM   37  H   UNL     1       0.697   0.466  -4.024  1.00  0.00           H  
HETATM   38  H   UNL     1       0.202   0.979  -2.394  1.00  0.00           H  
HETATM   39  H   UNL     1       0.539  -3.814   1.747  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.233  -3.984   1.733  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.699   2.130   0.337  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.656   1.651  -1.377  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.157   1.688   0.398  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.115   1.210  -1.316  1.00  0.00           H  
HETATM   45  H   UNL     1       1.611  -1.894   0.722  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.633  -2.296   0.698  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.817   1.464  -0.279  1.00  0.00           H  
HETATM   48  H   UNL     1       0.729   2.244  -1.097  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.506  -0.598  -0.771  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.549  -0.119   0.943  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.062   1.889   1.379  1.00  0.00           H  
HETATM   52  H   UNL     1       1.305   2.952   1.791  1.00  0.00           H  
HETATM   53  H   UNL     1       0.004   3.545   0.731  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.187  -5.437   0.152  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.932   0.187  -0.152  1.00  0.00           H  
HETATM   56  H   UNL     1       4.932  -1.265  -2.544  1.00  0.00           H  
CONECT    1   16   27   27   27                                       
CONECT    2   15   31   32                                            
CONECT    3   12   18   18   20                                       
CONECT    4   18   19   19    8                                       
CONECT    5   19   20   20    9                                       
CONECT    6   21   33   34   35                                       
CONECT    7   17   36   37   38                                       
CONECT    8    4   29   39   40                                       
CONECT    9    5   22   22   22                                       
CONECT   10   22   23   41   42                                       
CONECT   11   23   30   43   44                                       
CONECT   12   13   16    3   21                                       
CONECT   13   12   14   14   17                                       
CONECT   14   13   13   28   26                                       
CONECT   15   28   16   16    2                                       
CONECT   16   15   15   12    1                                       
CONECT   17   13   25   25    7                                       
CONECT   18    3    3    4   45                                       
CONECT   19    4    4    5   46                                       
CONECT   20    5    5    3   47                                       
CONECT   21   12    6   24   48                                       
CONECT   22    9    9    9   10                                       
CONECT   23   10   11   49   50                                       
CONECT   24   21   51   52   53                                       
CONECT   25   17   17   26                                            
CONECT   26   25   14   56                                            
CONECT   27    1    1    1                                            
CONECT   28   14   15                                                 
CONECT   29    8   54                                                 
CONECT   30   11   55                                                 
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   26                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
