COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.274  -0.087   0.989  1.00  0.00           C  
HETATM    2  O   UNL     1       0.086  -0.250   2.136  1.00  0.00           O  
HETATM    3  N   UNL     1       0.635  -0.061  -0.005  1.00  0.00           N  
HETATM    4  C   UNL     1       2.058  -0.231   0.299  1.00  0.00           C  
HETATM    5  C   UNL     1       2.391  -1.723   0.368  1.00  0.00           C  
HETATM    6  C   UNL     1       1.647  -2.358   1.544  1.00  0.00           C  
HETATM    7  C   UNL     1       2.884   0.419  -0.781  1.00  0.00           C  
HETATM    8  O   UNL     1       2.337   0.969  -1.714  1.00  0.00           O  
HETATM    9  N   UNL     1       4.229   0.389  -0.711  1.00  0.00           N  
HETATM   10  C   UNL     1       5.032   1.020  -1.762  1.00  0.00           C  
HETATM   11  C   UNL     1       7.174  -0.264  -1.919  1.00  0.00           C  
HETATM   12  C   UNL     1       8.514  -0.429  -1.636  1.00  0.00           C  
HETATM   13  C   UNL     1       9.185   0.526  -0.873  1.00  0.00           C  
HETATM   14  C   UNL     1       8.497   1.644  -0.402  1.00  0.00           C  
HETATM   15  C   UNL     1       7.158   1.801  -0.697  1.00  0.00           C  
HETATM   16  C   UNL     1       6.496   0.846  -1.449  1.00  0.00           C  
HETATM   17  C   UNL     1      10.624   0.355  -0.565  1.00  0.00           C  
HETATM   18  N   UNL     1      11.264  -0.689  -1.006  1.00  0.00           N  
HETATM   19  C   UNL     1       1.975  -3.827   1.612  1.00  0.00           C  
HETATM   20  O   UNL     1       2.730  -4.318   0.799  1.00  0.00           O  
HETATM   21  N   UNL     1       1.430  -4.595   2.575  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.312  -1.237   0.169  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.451   0.496   1.889  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.738   0.087   0.676  1.00  0.00           C  
HETATM   25  S   UNL     1      -2.729   2.102   2.184  1.00  0.00           S  
HETATM   26  O   UNL     1      -3.402   2.080   3.435  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.439   2.678   2.030  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.842   2.584   0.835  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.196   4.066   0.971  1.00  0.00           C  
HETATM   30  N   UNL     1      11.284   1.301   0.188  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.767  -1.210   0.653  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.742  -1.033  -0.260  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.026  -0.676  -1.565  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.334  -0.488  -1.964  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.370  -0.660  -1.047  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.078  -1.020   0.267  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.419   0.766  -2.722  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.109   0.588  -2.328  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.778  -0.459  -1.469  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.776  -1.313  -1.004  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.084  -1.122  -1.400  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.406  -0.085  -2.257  1.00  0.00           C  
HETATM   43  H   UNL     1       0.348   0.069  -0.922  1.00  0.00           H  
HETATM   44  H   UNL     1       2.283   0.236   1.258  1.00  0.00           H  
HETATM   45  H   UNL     1       2.085  -2.206  -0.560  1.00  0.00           H  
HETATM   46  H   UNL     1       3.465  -1.849   0.506  1.00  0.00           H  
HETATM   47  H   UNL     1       1.954  -1.874   2.472  1.00  0.00           H  
HETATM   48  H   UNL     1       0.574  -2.231   1.406  1.00  0.00           H  
HETATM   49  H   UNL     1       4.667  -0.051   0.034  1.00  0.00           H  
HETATM   50  H   UNL     1       4.808   0.554  -2.721  1.00  0.00           H  
HETATM   51  H   UNL     1       4.795   2.083  -1.810  1.00  0.00           H  
HETATM   52  H   UNL     1       6.652  -1.004  -2.509  1.00  0.00           H  
HETATM   53  H   UNL     1       9.042  -1.297  -2.003  1.00  0.00           H  
HETATM   54  H   UNL     1       9.011   2.387   0.189  1.00  0.00           H  
HETATM   55  H   UNL     1       6.623   2.666  -0.332  1.00  0.00           H  
HETATM   56  H   UNL     1      12.206  -0.802  -0.805  1.00  0.00           H  
HETATM   57  H   UNL     1       0.827  -4.203   3.225  1.00  0.00           H  
HETATM   58  H   UNL     1       1.641  -5.541   2.619  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.725  -1.586  -0.680  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.274  -1.979   0.967  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.761  -0.173   2.518  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.857   0.852  -0.091  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.752   1.987   0.884  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.348   2.415  -0.122  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.865   4.356   0.160  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.690   4.235   1.928  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.286   4.663   0.922  1.00  0.00           H  
HETATM   68  H   UNL     1      10.807   2.079   0.517  1.00  0.00           H  
HETATM   69  H   UNL     1      12.226   1.189   0.390  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.540  -1.489   1.671  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.222  -0.542  -2.275  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.555  -0.208  -2.983  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.877  -1.154   0.981  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.676   1.574  -3.392  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.339   1.253  -2.691  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.526  -2.124  -0.336  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.859  -1.783  -1.040  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.431   0.061  -2.565  1.00  0.00           H  
CONECT    1    2    2    3   24                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   43                                            
CONECT    4    3    5    7   44                                       
CONECT    5    4    6   45   46                                       
CONECT    6    5   19   47   48                                       
CONECT    7    4    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   49                                            
CONECT   10    9   16   50   51                                       
CONECT   11   12   16   16   52                                       
CONECT   12   11   13   13   53                                       
CONECT   13   12   12   14   17                                       
CONECT   14   13   15   15   54                                       
CONECT   15   14   14   16   55                                       
CONECT   16   10   11   11   15                                       
CONECT   17   13   18   18   30                                       
CONECT   18   17   17   56                                            
CONECT   19    6   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   57   58                                            
CONECT   22   24   32   59   60                                       
CONECT   23   24   25   61                                            
CONECT   24    1   22   23   62                                       
CONECT   25   23   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29   63   64                                       
CONECT   29   28   65   66   67                                       
CONECT   30   17   68   69                                            
CONECT   31   32   36   36   70                                       
CONECT   32   22   31   33   33                                       
CONECT   33   32   32   34   71                                       
CONECT   34   33   35   35   72                                       
CONECT   35   34   34   36   39                                       
CONECT   36   31   31   35   73                                       
CONECT   37   38   38   42   74                                       
CONECT   38   37   37   39   75                                       
CONECT   39   35   38   40   40                                       
CONECT   40   39   39   41   76                                       
CONECT   41   40   42   42   77                                       
CONECT   42   37   41   41   78                                       
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
