COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.538   1.054   3.260  1.00  0.00           N  
HETATM    2  C   UNL     1       2.068   1.226   1.402  1.00  0.00           C  
HETATM    3  C   UNL     1       2.298   1.245   0.040  1.00  0.00           C  
HETATM    4  C   UNL     1       1.242   1.113  -0.842  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.047   0.967  -0.366  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.282   0.716  -6.573  1.00  0.00           N  
HETATM    7  C   UNL     1       0.777  -1.441  -2.857  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.203  -0.299   9.794  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.535  -0.350   5.575  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.620  -1.381   9.041  1.00  0.00           C  
HETATM   11  O   UNL     1       2.778   1.814  -2.748  1.00  0.00           O  
HETATM   12  O   UNL     1       0.307   1.516  -3.177  1.00  0.00           O  
HETATM   13  C   UNL     1       0.774   1.074   1.884  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.284   0.941   0.994  1.00  0.00           C  
HETATM   15  S   UNL     1       1.540   1.138  -2.579  1.00  0.00           S  
HETATM   16  C   UNL     1       0.966  -0.248   5.292  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.245   0.843   4.929  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.907   0.882   3.437  1.00  0.00           C  
HETATM   19  C   UNL     1       1.188  -0.152   3.782  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.404  -1.398   7.676  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.771  -0.332   7.064  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.349   0.746   7.817  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.569   0.765   9.182  1.00  0.00           C  
HETATM   24  N   UNL     1       1.812  -0.423  -3.057  1.00  0.00           N  
HETATM   25  C   UNL     1       0.373  -2.030  -4.210  1.00  0.00           C  
HETATM   26  C   UNL     1       1.314  -2.537  -1.973  1.00  0.00           C  
HETATM   27  O   UNL     1       0.566  -3.154  -1.253  1.00  0.00           O  
HETATM   28  O   UNL     1       2.625  -2.827  -1.985  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.942   0.747  -5.830  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.783   1.159  -6.450  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.576   0.540  -6.140  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.561  -0.505  -5.198  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.747  -0.902  -4.578  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.921  -0.280  -4.898  1.00  0.00           C  
HETATM   35  C   UNL     1       0.545  -0.171  -5.940  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.164  -0.934  -5.094  1.00  0.00           C  
HETATM   37  H   UNL     1       2.893   1.329   2.091  1.00  0.00           H  
HETATM   38  H   UNL     1       3.303   1.363  -0.335  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.870   0.864  -1.058  1.00  0.00           H  
HETATM   40  H   UNL     1       0.001   1.371  -7.230  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.092  -0.986  -2.384  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.373  -0.286  10.861  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.924  -1.278   5.154  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.116  -2.213   9.520  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.291   0.823   1.365  1.00  0.00           H  
HETATM   46  H   UNL     1       1.368   0.641   5.777  1.00  0.00           H  
HETATM   47  H   UNL     1       1.470  -1.134   5.679  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.910   1.765   5.402  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.323   0.738   5.056  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.432   1.714   2.969  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.221  -0.051   2.970  1.00  0.00           H  
HETATM   52  H   UNL     1       0.764  -1.031   3.296  1.00  0.00           H  
HETATM   53  H   UNL     1       2.257  -0.106   3.575  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.730  -2.243   7.088  1.00  0.00           H  
HETATM   55  H   UNL     1       0.145   1.578   7.339  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.244   1.610   9.770  1.00  0.00           H  
HETATM   57  H   UNL     1       2.656  -0.664  -3.469  1.00  0.00           H  
HETATM   58  H   UNL     1       1.243  -2.485  -4.683  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.396  -2.787  -4.061  1.00  0.00           H  
HETATM   60  H   UNL     1       2.970  -3.530  -1.418  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.878   1.230  -6.072  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.810   1.960  -7.174  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.737  -1.701  -3.852  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.839  -0.591  -4.422  1.00  0.00           H  
HETATM   65  H   UNL     1       1.611  -0.245  -6.097  1.00  0.00           H  
CONECT    1   13   18   19                                            
CONECT    2    3    3   13   37                                       
CONECT    3    2    2    4   38                                       
CONECT    4    3    5    5   15                                       
CONECT    5    4    4   14   39                                       
CONECT    6   31   35   40                                            
CONECT    7   24   25   26   41                                       
CONECT    8   10   10   23   42                                       
CONECT    9   16   17   21   43                                       
CONECT   10    8    8   20   44                                       
CONECT   11   15   15                                                 
CONECT   12   15   15                                                 
CONECT   13    1    2   14   14                                       
CONECT   14    5   13   13   45                                       
CONECT   15    4   11   11   12                                       
CONECT   15   12   24                                                 
CONECT   16    9   19   46   47                                       
CONECT   17    9   18   48   49                                       
CONECT   18    1   17   50   51                                       
CONECT   19    1   16   52   53                                       
CONECT   20   10   21   21   54                                       
CONECT   21    9   20   20   22                                       
CONECT   22   21   23   23   55                                       
CONECT   23    8   22   22   56                                       
CONECT   24    7   15   57                                            
CONECT   25    7   36   58   59                                       
CONECT   26    7   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   60                                                 
CONECT   29   30   30   34   61                                       
CONECT   30   29   29   31   62                                       
CONECT   31    6   30   32   32                                       
CONECT   32   31   31   33   36                                       
CONECT   33   32   34   34   63                                       
CONECT   34   29   33   33   64                                       
CONECT   35    6   36   36   65                                       
CONECT   36   25   32   35   35                                       
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
