COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.736  -0.106  -0.114  1.00  0.00           C  
HETATM    2  CA  UNL     1       1.555  -3.386  -0.336  1.00  0.00           C  
HETATM    3  C   UNL     1       2.091  -4.641  -1.029  1.00  0.00           C  
HETATM    4  C   UNL     1       1.105  -3.741   1.083  1.00  0.00           C  
HETATM    5  C   UNL     1       0.456  -2.517   1.733  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.121   0.542  -0.068  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.196  -0.544  -0.135  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.560   0.095  -0.089  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.189   0.465  -1.263  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.440   1.052  -1.221  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.062   1.267  -0.005  1.00  0.00           C  
HETATM   12  C   UNL     1       0.632   0.586  -0.076  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.433   0.896   1.168  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.184   0.305   1.126  1.00  0.00           C  
HETATM   15  C   UNL     1       2.281  -1.031  -0.187  1.00  0.00           C  
HETATM   16  C   UNL     1       2.975   1.162  -0.058  1.00  0.00           C  
HETATM   17  C   UNL     1       1.632   1.572  -0.022  1.00  0.00           C  
HETATM   18  C   UNL     1       2.855   3.360   0.083  1.00  0.00           C  
HETATM   19  C   UNL     1       5.186   2.392   0.005  1.00  0.00           C  
HETATM   20  C   UNL     1       5.645   3.217  -1.199  1.00  0.00           C  
HETATM   21  C   UNL     1       5.664   3.062   1.295  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.707   0.934  -0.050  1.00  0.00           N  
HETATM   23  N   UNL     1       1.000  -0.688  -0.160  1.00  0.00           N  
HETATM   24  N   UNL     1       3.254  -0.136  -0.132  1.00  0.00           N  
HETATM   25  N   UNL     1       1.630   2.925   0.064  1.00  0.00           N  
HETATM   26  N   UNL     1       3.723   2.309   0.011  1.00  0.00           N  
HETATM   27  N   UNL     1       2.612  -2.374  -0.274  1.00  0.00           N  
HETATM   28  O   UNL     1       3.125  -5.221  -0.232  1.00  0.00           O  
HETATM   29  H   UNL     1      -1.623  -0.782   0.734  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.628  -0.667  -1.043  1.00  0.00           H  
HETATM   31  HA  UNL     1       0.708  -2.994  -0.898  1.00  0.00           H  
HETATM   32  H1  UNL     1       1.281  -5.360  -1.155  1.00  0.00           H  
HETATM   33  H2  UNL     1       2.493  -4.372  -2.006  1.00  0.00           H  
HETATM   34  H   UNL     1       0.384  -4.556   1.042  1.00  0.00           H  
HETATM   35  H   UNL     1       1.969  -4.049   1.672  1.00  0.00           H  
HETATM   36  H   UNL     1       0.136  -2.769   2.744  1.00  0.00           H  
HETATM   37  H   UNL     1       1.178  -1.701   1.773  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.407  -2.208   1.144  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.228   1.103   0.861  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.234   1.218  -0.915  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.088  -1.105  -1.063  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.083  -1.220   0.713  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.703   0.297  -2.213  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.931   1.342  -2.138  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.040   1.726   0.027  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.919   1.064   2.118  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.694   0.012   2.043  1.00  0.00           H  
HETATM   48  H   UNL     1       3.144   4.399   0.146  1.00  0.00           H  
HETATM   49  H   UNL     1       5.606   1.388  -0.060  1.00  0.00           H  
HETATM   50  H   UNL     1       6.734   3.278  -1.203  1.00  0.00           H  
HETATM   51  H   UNL     1       5.305   2.739  -2.118  1.00  0.00           H  
HETATM   52  H   UNL     1       5.225   4.220  -1.134  1.00  0.00           H  
HETATM   53  H   UNL     1       5.243   4.066   1.360  1.00  0.00           H  
HETATM   54  H   UNL     1       5.336   2.475   2.152  1.00  0.00           H  
HETATM   55  H   UNL     1       6.752   3.124   1.291  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.964   1.867   0.012  1.00  0.00           H  
HETATM   57  H   UNL     1       3.544  -2.643  -0.295  1.00  0.00           H  
HETATM   58  H   UNL     1       3.511  -6.022  -0.611  1.00  0.00           H  
CONECT    1   22    6   29   30                                       
CONECT    2    4   27    3   31                                       
CONECT    3    2   28   32   33                                       
CONECT    4    5    2   34   35                                       
CONECT    5    4   36   37   38                                       
CONECT    6    1    7   39   40                                       
CONECT    7    6    8   41   42                                       
CONECT    8    7    9    9   14                                       
CONECT    9    8    8   10   43                                       
CONECT   10    9   11   11   44                                       
CONECT   11   10   10   13   45                                       
CONECT   12   17   17   23   22                                       
CONECT   13   14   14   11   46                                       
CONECT   14    8   13   13   47                                       
CONECT   15   24   27   23   23                                       
CONECT   16   26   24   24   17                                       
CONECT   17   25   16   12   12                                       
CONECT   18   26   25   25   48                                       
CONECT   19   21   20   26   49                                       
CONECT   20   19   50   51   52                                       
CONECT   21   19   53   54   55                                       
CONECT   22   12    1   56                                            
CONECT   23   15   15   12                                            
CONECT   24   16   16   15                                            
CONECT   25   18   18   17                                            
CONECT   26   19   18   16                                            
CONECT   27   15    2   57                                            
CONECT   28    3   58                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
