COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.968  -1.717   0.452  1.00  0.00           N  
HETATM    2  N   UNL     1      -9.602   2.841   0.234  1.00  0.00           N  
HETATM    3  C   UNL     1       1.871  -2.352  -0.137  1.00  0.00           C  
HETATM    4  C   UNL     1       0.586  -1.897   0.118  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.503  -2.533  -0.472  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.881  -2.051  -0.204  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.088  -0.957   0.634  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.451  -1.151   0.297  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.661   1.601   1.064  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.965   3.318   0.499  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.091   1.697  -1.316  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.297  -3.623  -1.315  1.00  0.00           C  
HETATM   13  C   UNL     1       0.986  -4.071  -1.564  1.00  0.00           C  
HETATM   14  C   UNL     1       2.068  -3.437  -0.984  1.00  0.00           C  
HETATM   15  C   UNL     1       3.551  -0.623  -0.168  1.00  0.00           C  
HETATM   16  C   UNL     1       6.144   1.908  -0.046  1.00  0.00           C  
HETATM   17  C   UNL     1       8.230   3.423   0.696  1.00  0.00           C  
HETATM   18  C   UNL     1       3.336  -1.989   4.213  1.00  0.00           C  
HETATM   19  C   UNL     1       2.875  -1.404   2.876  1.00  0.00           C  
HETATM   20  C   UNL     1       3.497  -2.203   1.729  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.372  -0.513   0.880  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.850  -0.662   0.569  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.234   0.390  -0.473  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.598   0.867  -0.208  1.00  0.00           N  
HETATM   25  C   UNL     1      -9.109   2.011   1.342  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.539   2.107  -1.038  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.251  -2.234  -0.540  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.971  -2.687  -0.793  1.00  0.00           C  
HETATM   29  C   UNL     1       3.465  -3.931  -1.260  1.00  0.00           C  
HETATM   30  N   UNL     1       4.568   0.040   0.286  1.00  0.00           N  
HETATM   31  C   UNL     1       4.994   1.067  -0.449  1.00  0.00           C  
HETATM   32  N   UNL     1       6.779   1.635   1.087  1.00  0.00           N  
HETATM   33  C   UNL     1       7.812   2.365   1.480  1.00  0.00           C  
HETATM   34  C   UNL     1       7.546   3.683  -0.494  1.00  0.00           C  
HETATM   35  N   UNL     1       7.935   4.730  -1.314  1.00  0.00           N  
HETATM   36  N   UNL     1       6.518   2.912  -0.829  1.00  0.00           N  
HETATM   37  C   UNL     1       4.304   1.286  -1.584  1.00  0.00           C  
HETATM   38  S   UNL     1       3.030   0.074  -1.699  1.00  0.00           S  
HETATM   39  H   UNL     1       0.431  -1.052   0.772  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.246  -0.458   1.090  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.303   0.962   1.871  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.036   2.492   1.001  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.970   3.915   1.411  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.306   3.930  -0.337  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.632   2.464   0.620  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.471   2.589  -1.406  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.046   1.127  -2.244  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.140  -4.119  -1.773  1.00  0.00           H  
HETATM   49  H   UNL     1       1.144  -4.913  -2.221  1.00  0.00           H  
HETATM   50  H   UNL     1       9.070   4.033   0.995  1.00  0.00           H  
HETATM   51  H   UNL     1       4.423  -1.933   4.278  1.00  0.00           H  
HETATM   52  H   UNL     1       2.893  -1.419   5.030  1.00  0.00           H  
HETATM   53  H   UNL     1       3.020  -3.030   4.282  1.00  0.00           H  
HETATM   54  H   UNL     1       1.789  -1.460   2.811  1.00  0.00           H  
HETATM   55  H   UNL     1       3.191  -0.363   2.807  1.00  0.00           H  
HETATM   56  H   UNL     1       3.250  -3.259   1.846  1.00  0.00           H  
HETATM   57  H   UNL     1       4.580  -2.079   1.744  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.533   0.335   1.530  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.545  -1.499   0.514  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.893  -0.219   1.564  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.539   1.227  -0.418  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.192  -0.053  -1.469  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.153   2.581   2.270  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.729   1.119   1.432  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.163   1.216  -0.975  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.897   2.747  -1.845  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.097  -2.727  -0.997  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.816  -3.532  -1.447  1.00  0.00           H  
HETATM   69  H   UNL     1       3.902  -3.348  -2.071  1.00  0.00           H  
HETATM   70  H   UNL     1       4.074  -3.819  -0.363  1.00  0.00           H  
HETATM   71  H   UNL     1       3.429  -4.982  -1.546  1.00  0.00           H  
HETATM   72  H   UNL     1       8.322   2.135   2.404  1.00  0.00           H  
HETATM   73  H   UNL     1       7.456   4.905  -2.138  1.00  0.00           H  
HETATM   74  H   UNL     1       8.687   5.289  -1.062  1.00  0.00           H  
HETATM   75  H   UNL     1       4.500   2.068  -2.303  1.00  0.00           H  
CONECT    1    3   15   20                                            
CONECT    2   26   25   10                                            
CONECT    3   14    1    4    4                                       
CONECT    4    3    3    5   39                                       
CONECT    5   12   12    4    6                                       
CONECT    6    5   28   28    7                                       
CONECT    7    6   21   21   40                                       
CONECT    8   27   27   21   22                                       
CONECT    9   24   25   41   42                                       
CONECT   10    2   43   44   45                                       
CONECT   11   24   26   46   47                                       
CONECT   12   13    5    5   48                                       
CONECT   13   14   14   12   49                                       
CONECT   14   29   13   13    3                                       
CONECT   15   30   30    1   38                                       
CONECT   16   36   31   32   32                                       
CONECT   17   34   33   33   50                                       
CONECT   18   19   51   52   53                                       
CONECT   19   20   18   54   55                                       
CONECT   20    1   19   56   57                                       
CONECT   21    7    7    8   58                                       
CONECT   22    8   23   59   60                                       
CONECT   23   22   24   61   62                                       
CONECT   24   23   11    9                                            
CONECT   25    9    2   63   64                                       
CONECT   26   11    2   65   66                                       
CONECT   27   28    8    8   67                                       
CONECT   28    6    6   27   68                                       
CONECT   29   14   69   70   71                                       
CONECT   30   31   15   15                                            
CONECT   31   16   30   37   37                                       
CONECT   32   16   16   33                                            
CONECT   33   17   17   32   72                                       
CONECT   34   35   36   36   17                                       
CONECT   35   34   73   74                                            
CONECT   36   34   34   16                                            
CONECT   37   31   31   38   75                                       
CONECT   38   37   15                                                 
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   33                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
