COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.581  -0.043   0.756  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.606  -1.164   0.577  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.913  -0.777   1.273  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.868  -1.382  -0.915  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.258  -0.476   0.178  1.00  0.00           C  
HETATM    6  O   UNL     1      -7.146  -1.572  -0.327  1.00  0.00           O  
HETATM    7  N   UNL     1      -6.199   0.356   0.223  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.913  -0.064  -0.339  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.798   0.694   0.336  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.050   1.670   1.010  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.892   0.228  -1.840  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.913  -0.665  -2.547  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.248   1.697  -2.079  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.522   0.287   0.189  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.448   0.966   0.919  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.147   0.788   0.180  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.078   0.009  -0.747  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.325   0.365   2.320  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.593   0.671   3.120  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.144  -1.151   2.211  1.00  0.00           C  
HETATM   21  C   UNL     1       2.175   1.400  -0.234  1.00  0.00           C  
HETATM   22  C   UNL     1       2.750   2.801  -0.452  1.00  0.00           C  
HETATM   23  C   UNL     1       1.760   3.637  -1.265  1.00  0.00           C  
HETATM   24  C   UNL     1       2.303   5.058  -1.425  1.00  0.00           C  
HETATM   25  C   UNL     1       1.571   3.005  -2.645  1.00  0.00           C  
HETATM   26  N   UNL     1       0.940   1.495   0.548  1.00  0.00           N  
HETATM   27  P   UNL     1       3.387   0.379   0.668  1.00  0.00           P  
HETATM   28  O   UNL     1       3.785   1.071   1.914  1.00  0.00           O  
HETATM   29  O   UNL     1       2.727  -1.043   1.030  1.00  0.00           O  
HETATM   30  C   UNL     1       5.848  -0.550   0.196  1.00  0.00           C  
HETATM   31  C   UNL     1       6.213  -1.639  -0.815  1.00  0.00           C  
HETATM   32  C   UNL     1       5.117  -2.673  -0.857  1.00  0.00           C  
HETATM   33  C   UNL     1       4.065  -2.528  -1.742  1.00  0.00           C  
HETATM   34  C   UNL     1       5.167  -3.768  -0.016  1.00  0.00           C  
HETATM   35  C   UNL     1       3.059  -3.476  -1.781  1.00  0.00           C  
HETATM   36  C   UNL     1       4.162  -4.716  -0.055  1.00  0.00           C  
HETATM   37  C   UNL     1       3.107  -4.569  -0.936  1.00  0.00           C  
HETATM   38  C   UNL     1       6.996   0.417   0.330  1.00  0.00           C  
HETATM   39  C   UNL     1       9.227   0.989   0.942  1.00  0.00           C  
HETATM   40  O   UNL     1       4.686   0.149  -0.255  1.00  0.00           O  
HETATM   41  O   UNL     1       8.165   0.004   0.843  1.00  0.00           O  
HETATM   42  O   UNL     1       6.864   1.564  -0.026  1.00  0.00           O  
HETATM   43  H   UNL     1      -8.927   0.852   0.241  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.460   0.172   1.818  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.220  -2.084   1.016  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.299   0.143   0.834  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.643  -1.576   1.145  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.726  -0.622   2.336  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.938  -1.659  -1.410  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.599  -2.181  -1.042  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.255  -0.463  -1.354  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.288   1.234   0.628  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.776  -1.133  -0.175  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.897   0.027  -2.236  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.914  -0.433  -2.182  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.869  -0.488  -3.622  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.685  -1.711  -2.342  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.521   2.334  -1.575  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.234   1.905  -3.149  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.244   1.899  -1.683  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.314  -0.455  -0.400  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.678   2.029   0.999  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.462   0.798   2.827  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.437   0.140   2.679  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.458   0.346   4.152  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.786   1.743   3.099  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.240  -1.368   1.641  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.056  -1.579   3.209  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.006  -1.584   1.704  1.00  0.00           H  
HETATM   70  H   UNL     1       1.960   0.941  -1.199  1.00  0.00           H  
HETATM   71  H   UNL     1       2.921   3.278   0.513  1.00  0.00           H  
HETATM   72  H   UNL     1       3.693   2.727  -0.993  1.00  0.00           H  
HETATM   73  H   UNL     1       0.801   3.671  -0.747  1.00  0.00           H  
HETATM   74  H   UNL     1       3.262   5.024  -1.943  1.00  0.00           H  
HETATM   75  H   UNL     1       1.598   5.654  -2.004  1.00  0.00           H  
HETATM   76  H   UNL     1       2.438   5.509  -0.442  1.00  0.00           H  
HETATM   77  H   UNL     1       2.518   3.018  -3.184  1.00  0.00           H  
HETATM   78  H   UNL     1       1.233   1.975  -2.530  1.00  0.00           H  
HETATM   79  H   UNL     1       0.826   3.571  -3.205  1.00  0.00           H  
HETATM   80  H   UNL     1       0.904   2.066   1.331  1.00  0.00           H  
HETATM   81  H   UNL     1       2.443  -1.553   0.259  1.00  0.00           H  
HETATM   82  H   UNL     1       5.643  -1.007   1.164  1.00  0.00           H  
HETATM   83  H   UNL     1       6.331  -1.193  -1.802  1.00  0.00           H  
HETATM   84  H   UNL     1       7.148  -2.113  -0.516  1.00  0.00           H  
HETATM   85  H   UNL     1       4.028  -1.674  -2.402  1.00  0.00           H  
HETATM   86  H   UNL     1       5.992  -3.884   0.672  1.00  0.00           H  
HETATM   87  H   UNL     1       2.237  -3.363  -2.472  1.00  0.00           H  
HETATM   88  H   UNL     1       4.201  -5.573   0.602  1.00  0.00           H  
HETATM   89  H   UNL     1       2.321  -5.310  -0.967  1.00  0.00           H  
HETATM   90  H   UNL     1      10.114   0.525   1.372  1.00  0.00           H  
HETATM   91  H   UNL     1       9.462   1.371  -0.052  1.00  0.00           H  
HETATM   92  H   UNL     1       8.901   1.811   1.579  1.00  0.00           H  
CONECT    1    2    5   43   44                                       
CONECT    2    1    3    4   45                                       
CONECT    3    2   46   47   48                                       
CONECT    4    2   49   50   51                                       
CONECT    5    1    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    8   52    5                                            
CONECT    8    7    9   11   53                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   13   54                                       
CONECT   12   11   55   56   57                                       
CONECT   13   11   58   59   60                                       
CONECT   14   15   61    9                                            
CONECT   15   14   16   18   62                                       
CONECT   16   15   17   17   26                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   20   63                                       
CONECT   19   18   64   65   66                                       
CONECT   20   18   67   68   69                                       
CONECT   21   22   26   27   70                                       
CONECT   22   21   23   71   72                                       
CONECT   23   22   24   25   73                                       
CONECT   24   23   74   75   76                                       
CONECT   25   23   77   78   79                                       
CONECT   26   21   80   16                                            
CONECT   27   21   28   28   29                                       
CONECT   27   40                                                      
CONECT   28   27   27                                                 
CONECT   29   27   81                                                 
CONECT   30   31   38   40   82                                       
CONECT   31   30   32   83   84                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32   35   85                                       
CONECT   34   32   36   36   86                                       
CONECT   35   33   37   37   87                                       
CONECT   36   34   34   37   88                                       
CONECT   37   35   35   36   89                                       
CONECT   38   30   41   42   42                                       
CONECT   39   41   90   91   92                                       
CONECT   40   30   27                                                 
CONECT   41   38   39                                                 
CONECT   42   38   38                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
