COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.155  -1.570  -2.694  1.00  0.00           C  
HETATM    2  C   UNL     1       3.697  -2.200  -1.403  1.00  0.00           C  
HETATM    3  C   UNL     1       2.802  -3.246  -1.428  1.00  0.00           C  
HETATM    4  C   UNL     1       2.379  -3.829  -0.230  1.00  0.00           C  
HETATM    5  C   UNL     1       1.449  -4.918  -0.251  1.00  0.00           C  
HETATM    6  C   UNL     1       2.866  -3.348   0.988  1.00  0.00           C  
HETATM    7  C   UNL     1       3.761  -2.301   1.003  1.00  0.00           C  
HETATM    8  C   UNL     1       4.288  -1.780   2.316  1.00  0.00           C  
HETATM    9  C   UNL     1       4.183  -1.727  -0.190  1.00  0.00           C  
HETATM   10  C   UNL     1       4.580   0.563  -0.102  1.00  0.00           C  
HETATM   11  C   UNL     1       2.786   2.008   0.005  1.00  0.00           C  
HETATM   12  C   UNL     1       0.523   1.019   0.015  1.00  0.00           C  
HETATM   13  C   UNL     1       0.341   0.476   1.435  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.635  -0.703   1.404  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.929  -1.327   0.945  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.288  -0.767   0.613  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.086  -0.249   1.616  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.333   0.265   1.312  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.782   0.261   0.005  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.984  -0.256  -0.999  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.735  -0.766  -0.695  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.783   0.225  -0.518  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.841   1.431  -0.544  1.00  0.00           C  
HETATM   24  C   UNL     1       4.910   2.950  -0.009  1.00  0.00           C  
HETATM   25  C   UNL     1       5.898   3.947   0.007  1.00  0.00           C  
HETATM   26  C   UNL     1       7.149   3.518  -0.047  1.00  0.00           C  
HETATM   27  C   UNL     1       5.449   1.663  -0.079  1.00  0.00           C  
HETATM   28  N   UNL     1       0.711  -5.782  -0.267  1.00  0.00           N  
HETATM   29  N   UNL     1       3.272   0.774  -0.062  1.00  0.00           N  
HETATM   30  N   UNL     1       1.411   2.184   0.046  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.925  -0.257   0.862  1.00  0.00           N  
HETATM   32  N   UNL     1      -8.171   2.525  -0.716  1.00  0.00           N  
HETATM   33  N   UNL     1       3.562   3.070   0.034  1.00  0.00           N  
HETATM   34  O   UNL     1       5.070  -0.699  -0.170  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.772   0.301  -1.600  1.00  0.00           O  
HETATM   36  O   UNL     1      -9.137   0.845   0.812  1.00  0.00           O  
HETATM   37  S   UNL     1      -8.371   0.915  -0.383  1.00  0.00           S  
HETATM   38  S   UNL     1       7.203   1.765  -0.123  1.00  0.00           S  
HETATM   39  H   UNL     1       5.043  -2.088  -3.056  1.00  0.00           H  
HETATM   40  H   UNL     1       3.361  -1.647  -3.437  1.00  0.00           H  
HETATM   41  H   UNL     1       4.391  -0.520  -2.522  1.00  0.00           H  
HETATM   42  H   UNL     1       2.428  -3.615  -2.371  1.00  0.00           H  
HETATM   43  H   UNL     1       2.542  -3.795   1.916  1.00  0.00           H  
HETATM   44  H   UNL     1       5.195  -2.321   2.583  1.00  0.00           H  
HETATM   45  H   UNL     1       4.513  -0.718   2.222  1.00  0.00           H  
HETATM   46  H   UNL     1       3.536  -1.925   3.092  1.00  0.00           H  
HETATM   47  H   UNL     1       0.958   0.245  -0.618  1.00  0.00           H  
HETATM   48  H   UNL     1       1.303   0.141   1.823  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.058   1.261   2.077  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.230  -1.493   0.773  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.779  -1.083   2.415  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.941  -1.735   1.955  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.678  -2.116   0.236  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.735  -0.246   2.638  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.956   0.669   2.096  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.335  -0.260  -2.020  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.110  -1.166  -1.479  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.760   0.519  -0.903  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.372  -0.570  -1.140  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.259   2.232   0.067  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.724   1.779  -1.571  1.00  0.00           H  
HETATM   62  H   UNL     1       5.653   4.997   0.059  1.00  0.00           H  
HETATM   63  H   UNL     1       8.018   4.159  -0.044  1.00  0.00           H  
HETATM   64  H   UNL     1       1.038   3.077   0.094  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.287   2.923  -0.672  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.937   3.070  -0.954  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    9    9    3                                       
CONECT    3    2    4    4   42                                       
CONECT    4    3    3    6    5                                       
CONECT    5    4   28   28   28                                       
CONECT    6    7    7    4   43                                       
CONECT    7    9    8    6    6                                       
CONECT    8    7   44   45   46                                       
CONECT    9   34    2    2    7                                       
CONECT   10   29   29   27   34                                       
CONECT   11   30   33   33   29                                       
CONECT   12   13   30   23   47                                       
CONECT   13   14   12   48   49                                       
CONECT   14   13   31   50   51                                       
CONECT   15   31   16   52   53                                       
CONECT   16   17   15   21   21                                       
CONECT   17   18   18   16   54                                       
CONECT   18   17   17   19   55                                       
CONECT   19   18   37   20   20                                       
CONECT   20   19   19   21   56                                       
CONECT   21   16   16   20   57                                       
CONECT   22   31   23   58   59                                       
CONECT   23   12   22   60   61                                       
CONECT   24   33   25   27   27                                       
CONECT   25   24   26   26   62                                       
CONECT   26   25   25   38   63                                       
CONECT   27   24   24   10   38                                       
CONECT   28    5    5    5                                            
CONECT   29   11   10   10                                            
CONECT   30   12   11   64                                            
CONECT   31   14   15   22                                            
CONECT   32   37   65   66                                            
CONECT   33   11   11   24                                            
CONECT   34   10    9                                                 
CONECT   35   37   37                                                 
CONECT   36   37   37                                                 
CONECT   37   32   19   36   36                                       
CONECT   37   35   35                                                 
CONECT   38   26   27                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
