COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -13.418   1.453  -1.352  1.00  0.00           N  
HETATM    2  N   UNL     1      -5.148  -3.069   3.311  1.00  0.00           N  
HETATM    3  N   UNL     1      -6.300  -2.938   2.753  1.00  0.00           N  
HETATM    4  C   UNL     1       2.083   1.663   5.631  1.00  0.00           C  
HETATM    5  C   UNL     1       0.756   1.171   5.112  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.121   2.055   4.510  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.340   1.602   4.033  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.685   0.262   4.169  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.800  -0.619   4.770  1.00  0.00           C  
HETATM   10  C   UNL     1       0.421  -0.165   5.232  1.00  0.00           C  
HETATM   11  C   UNL     1       1.396  -1.133   5.852  1.00  0.00           C  
HETATM   12  C   UNL     1       2.113  -1.877   4.753  1.00  0.00           C  
HETATM   13  C   UNL     1       1.480  -2.917   4.098  1.00  0.00           C  
HETATM   14  C   UNL     1       2.135  -3.598   3.085  1.00  0.00           C  
HETATM   15  C   UNL     1       3.433  -3.239   2.735  1.00  0.00           C  
HETATM   16  C   UNL     1       4.061  -2.196   3.395  1.00  0.00           C  
HETATM   17  C   UNL     1       3.398  -1.512   4.398  1.00  0.00           C  
HETATM   18  C   UNL     1       4.074  -0.360   5.096  1.00  0.00           C  
HETATM   19  C   UNL     1       3.992   0.866   4.222  1.00  0.00           C  
HETATM   20  C   UNL     1       4.867   1.016   3.162  1.00  0.00           C  
HETATM   21  C   UNL     1       4.792   2.139   2.356  1.00  0.00           C  
HETATM   22  C   UNL     1       3.836   3.118   2.617  1.00  0.00           C  
HETATM   23  C   UNL     1       2.962   2.960   3.680  1.00  0.00           C  
HETATM   24  C   UNL     1       3.039   1.834   4.479  1.00  0.00           C  
HETATM   25  C   UNL     1       1.108  -1.271  -4.503  1.00  0.00           C  
HETATM   26  C   UNL     1       2.046  -0.273  -3.873  1.00  0.00           C  
HETATM   27  C   UNL     1       3.275  -0.689  -3.396  1.00  0.00           C  
HETATM   28  C   UNL     1       4.137   0.225  -2.813  1.00  0.00           C  
HETATM   29  C   UNL     1       3.763   1.561  -2.709  1.00  0.00           C  
HETATM   30  C   UNL     1       2.532   1.972  -3.192  1.00  0.00           C  
HETATM   31  C   UNL     1       1.675   1.055  -3.773  1.00  0.00           C  
HETATM   32  C   UNL     1       0.335   1.505  -4.296  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.629   1.645  -3.145  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.584   2.770  -2.342  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.466   2.899  -1.281  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.396   1.896  -1.029  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.439   0.775  -1.841  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.554   0.650  -2.894  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.598  -0.576  -3.772  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.897  -1.712  -3.072  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.552  -2.420  -2.081  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.908  -3.460  -1.430  1.00  0.00           C  
HETATM   43  C   UNL     1       0.399  -3.788  -1.779  1.00  0.00           C  
HETATM   44  C   UNL     1       1.046  -3.079  -2.778  1.00  0.00           C  
HETATM   45  C   UNL     1       0.399  -2.044  -3.421  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.820   1.531   1.282  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.048   2.632   2.010  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.442   4.993  -0.810  1.00  0.00           C  
HETATM   49  C   UNL     1       1.788  -4.457   0.031  1.00  0.00           C  
HETATM   50  C   UNL     1       5.662  -1.570  -2.482  1.00  0.00           C  
HETATM   51  C   UNL     1       5.259   1.701   0.066  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.173  -1.572   3.889  1.00  0.00           C  
HETATM   53  C   UNL     1      -2.891  -3.763  -0.153  1.00  0.00           C  
HETATM   54  C   UNL     1       0.834  -4.270   1.212  1.00  0.00           C  
HETATM   55  O   UNL     1      -2.196   2.466   3.422  1.00  0.00           O  
HETATM   56  O   UNL     1      -2.887  -0.183   3.715  1.00  0.00           O  
HETATM   57  O   UNL     1      -1.423   4.004  -0.490  1.00  0.00           O  
HETATM   58  O   UNL     1       1.507  -4.609   2.427  1.00  0.00           O  
HETATM   59  O   UNL     1       4.083  -3.912   1.748  1.00  0.00           O  
HETATM   60  O   UNL     1      -1.551  -4.157  -0.456  1.00  0.00           O  
HETATM   61  O   UNL     1       5.648   2.287   1.310  1.00  0.00           O  
HETATM   62  O   UNL     1       3.762   4.225   1.831  1.00  0.00           O  
HETATM   63  O   UNL     1       5.346  -0.183  -2.342  1.00  0.00           O  
HETATM   64  O   UNL     1       4.605   2.461  -2.134  1.00  0.00           O  
HETATM   65  O   UNL     1      -3.261   2.017   0.013  1.00  0.00           O  
HETATM   66  O   UNL     1       1.038  -4.802  -1.137  1.00  0.00           O  
HETATM   67  C   UNL     1     -11.430  -0.446  -1.481  1.00  0.00           C  
HETATM   68  C   UNL     1     -10.183   0.065  -1.789  1.00  0.00           C  
HETATM   69  C   UNL     1      -9.057  -0.433  -1.161  1.00  0.00           C  
HETATM   70  C   UNL     1      -9.178  -1.443  -0.225  1.00  0.00           C  
HETATM   71  C   UNL     1     -10.425  -1.954   0.084  1.00  0.00           C  
HETATM   72  C   UNL     1     -11.551  -1.456  -0.545  1.00  0.00           C  
HETATM   73  C   UNL     1      -7.950  -1.987   0.459  1.00  0.00           C  
HETATM   74  C   UNL     1      -7.679  -1.186   1.734  1.00  0.00           C  
HETATM   75  O   UNL     1     -13.854  -0.823  -2.200  1.00  0.00           O  
HETATM   76  O   UNL     1     -12.426   0.761  -3.503  1.00  0.00           O  
HETATM   77  S   UNL     1     -12.866   0.195  -2.276  1.00  0.00           S  
HETATM   78  C   UNL     1       4.433   2.709  -0.737  1.00  0.00           C  
HETATM   79  C   UNL     1      -4.539  -1.878   3.329  1.00  0.00           C  
HETATM   80  C   UNL     1      -5.390  -1.002   2.746  1.00  0.00           C  
HETATM   81  N   UNL     1      -6.486  -1.715   2.399  1.00  0.00           N  
HETATM   82  C   UNL     1       5.413  -3.489   1.442  1.00  0.00           C  
HETATM   83  C   UNL     1       5.970  -4.343   0.332  1.00  0.00           C  
HETATM   84  C   UNL     1       5.339  -5.360  -0.301  1.00  0.00           C  
HETATM   85  N   UNL     1       7.181  -4.242  -0.225  1.00  0.00           N  
HETATM   86  N   UNL     1       7.296  -5.140  -1.139  1.00  0.00           N  
HETATM   87  N   UNL     1       6.214  -5.833  -1.218  1.00  0.00           N  
HETATM   88  C   UNL     1       5.971  -6.942  -2.144  1.00  0.00           C  
HETATM   89  C   UNL     1       6.220  -6.471  -3.579  1.00  0.00           C  
HETATM   90  C   UNL     1       5.970  -7.612  -4.532  1.00  0.00           C  
HETATM   91  O   UNL     1       6.127  -7.430  -5.852  1.00  0.00           O  
HETATM   92  O   UNL     1       5.627  -8.690  -4.107  1.00  0.00           O  
HETATM   93  C   UNL     1       3.713   9.105  -3.902  1.00  0.00           C  
HETATM   94  O   UNL     1       3.000   9.447  -4.986  1.00  0.00           O  
HETATM   95  O   UNL     1       4.910   9.269  -3.890  1.00  0.00           O  
HETATM   96  C   UNL     1       4.056   8.220  -1.611  1.00  0.00           C  
HETATM   97  C   UNL     1       3.022   8.518  -2.699  1.00  0.00           C  
HETATM   98  N   UNL     1       2.044   7.422   1.174  1.00  0.00           N  
HETATM   99  N   UNL     1       2.401   8.180   0.198  1.00  0.00           N  
HETATM  100  N   UNL     1       3.383   7.649  -0.441  1.00  0.00           N  
HETATM  101  C   UNL     1       2.757   5.186   2.158  1.00  0.00           C  
HETATM  102  C   UNL     1       2.825   6.335   1.186  1.00  0.00           C  
HETATM  103  C   UNL     1       3.688   6.472   0.152  1.00  0.00           C  
HETATM  104  H   UNL     1     -13.885   2.193  -1.769  1.00  0.00           H  
HETATM  105  H   UNL     1     -13.278   1.447  -0.392  1.00  0.00           H  
HETATM  106  H   UNL     1       1.944   2.620   6.133  1.00  0.00           H  
HETATM  107  H   UNL     1       2.489   0.938   6.336  1.00  0.00           H  
HETATM  108  H   UNL     1       0.145   3.097   4.412  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.065  -1.661   4.878  1.00  0.00           H  
HETATM  110  H   UNL     1       2.120  -0.586   6.455  1.00  0.00           H  
HETATM  111  H   UNL     1       0.857  -1.842   6.481  1.00  0.00           H  
HETATM  112  H   UNL     1       0.475  -3.199   4.377  1.00  0.00           H  
HETATM  113  H   UNL     1       5.069  -1.916   3.127  1.00  0.00           H  
HETATM  114  H   UNL     1       3.574  -0.165   6.045  1.00  0.00           H  
HETATM  115  H   UNL     1       5.120  -0.608   5.280  1.00  0.00           H  
HETATM  116  H   UNL     1       5.610   0.257   2.963  1.00  0.00           H  
HETATM  117  H   UNL     1       2.220   3.718   3.885  1.00  0.00           H  
HETATM  118  H   UNL     1       0.374  -0.745  -5.114  1.00  0.00           H  
HETATM  119  H   UNL     1       1.676  -1.959  -5.129  1.00  0.00           H  
HETATM  120  H   UNL     1       3.563  -1.727  -3.478  1.00  0.00           H  
HETATM  121  H   UNL     1       2.240   3.009  -3.115  1.00  0.00           H  
HETATM  122  H   UNL     1       0.444   2.466  -4.798  1.00  0.00           H  
HETATM  123  H   UNL     1      -0.046   0.766  -5.002  1.00  0.00           H  
HETATM  124  H   UNL     1       0.138   3.547  -2.541  1.00  0.00           H  
HETATM  125  H   UNL     1      -3.162  -0.004  -1.650  1.00  0.00           H  
HETATM  126  H   UNL     1      -2.635  -0.850  -3.963  1.00  0.00           H  
HETATM  127  H   UNL     1      -1.096  -0.365  -4.716  1.00  0.00           H  
HETATM  128  H   UNL     1      -2.566  -2.161  -1.814  1.00  0.00           H  
HETATM  129  H   UNL     1       2.058  -3.336  -3.054  1.00  0.00           H  
HETATM  130  H   UNL     1      -2.171   0.668   1.135  1.00  0.00           H  
HETATM  131  H   UNL     1      -0.992   2.571   1.746  1.00  0.00           H  
HETATM  132  H   UNL     1      -0.615   5.363  -1.820  1.00  0.00           H  
HETATM  133  H   UNL     1      -0.515   5.820  -0.103  1.00  0.00           H  
HETATM  134  H   UNL     1       0.553   4.551  -0.750  1.00  0.00           H  
HETATM  135  H   UNL     1       2.332  -3.530  -0.147  1.00  0.00           H  
HETATM  136  H   UNL     1       6.652  -1.760  -2.067  1.00  0.00           H  
HETATM  137  H   UNL     1       4.924  -2.167  -1.947  1.00  0.00           H  
HETATM  138  H   UNL     1       5.653  -1.840  -3.538  1.00  0.00           H  
HETATM  139  H   UNL     1       6.149   1.428  -0.501  1.00  0.00           H  
HETATM  140  H   UNL     1       4.661   0.810   0.255  1.00  0.00           H  
HETATM  141  H   UNL     1      -2.424  -2.166   3.365  1.00  0.00           H  
HETATM  142  H   UNL     1      -3.153  -1.817   4.951  1.00  0.00           H  
HETATM  143  H   UNL     1      -3.286  -4.398   0.640  1.00  0.00           H  
HETATM  144  H   UNL     1      -2.898  -2.724   0.177  1.00  0.00           H  
HETATM  145  H   UNL     1      -3.510  -3.866  -1.044  1.00  0.00           H  
HETATM  146  H   UNL     1       0.509  -3.230   1.255  1.00  0.00           H  
HETATM  147  H   UNL     1     -10.089   0.854  -2.521  1.00  0.00           H  
HETATM  148  H   UNL     1      -8.083  -0.034  -1.402  1.00  0.00           H  
HETATM  149  H   UNL     1     -10.519  -2.743   0.815  1.00  0.00           H  
HETATM  150  H   UNL     1     -12.525  -1.856  -0.304  1.00  0.00           H  
HETATM  151  H   UNL     1      -8.111  -3.034   0.715  1.00  0.00           H  
HETATM  152  H   UNL     1      -7.094  -1.904  -0.211  1.00  0.00           H  
HETATM  153  H   UNL     1      -7.519  -0.139   1.478  1.00  0.00           H  
HETATM  154  H   UNL     1      -8.535  -1.269   2.404  1.00  0.00           H  
HETATM  155  H   UNL     1       3.380   2.605  -0.476  1.00  0.00           H  
HETATM  156  H   UNL     1       4.767   3.720  -0.504  1.00  0.00           H  
HETATM  157  H   UNL     1      -5.227   0.054   2.589  1.00  0.00           H  
HETATM  158  H   UNL     1       5.399  -2.446   1.126  1.00  0.00           H  
HETATM  159  H   UNL     1       6.040  -3.592   2.329  1.00  0.00           H  
HETATM  160  H   UNL     1       4.339  -5.721  -0.111  1.00  0.00           H  
HETATM  161  H   UNL     1       6.645  -7.765  -1.910  1.00  0.00           H  
HETATM  162  H   UNL     1       4.938  -7.277  -2.046  1.00  0.00           H  
HETATM  163  H   UNL     1       5.546  -5.648  -3.813  1.00  0.00           H  
HETATM  164  H   UNL     1       7.252  -6.136  -3.677  1.00  0.00           H  
HETATM  165  H   UNL     1       5.955  -8.191  -6.424  1.00  0.00           H  
HETATM  166  H   UNL     1       3.487   9.820  -5.733  1.00  0.00           H  
HETATM  167  H   UNL     1       4.789   7.509  -1.992  1.00  0.00           H  
HETATM  168  H   UNL     1       4.559   9.144  -1.326  1.00  0.00           H  
HETATM  169  H   UNL     1       2.288   9.229  -2.318  1.00  0.00           H  
HETATM  170  H   UNL     1       2.518   7.594  -2.984  1.00  0.00           H  
HETATM  171  H   UNL     1       1.774   4.719   2.100  1.00  0.00           H  
HETATM  172  H   UNL     1       2.924   5.556   3.170  1.00  0.00           H  
HETATM  173  H   UNL     1       4.464   5.780  -0.140  1.00  0.00           H  
HETATM  174  H   UNL     1      -3.684   1.237   1.878  1.00  0.00           H  
HETATM  175  H   UNL     1      -2.440   3.606   1.717  1.00  0.00           H  
HETATM  176  H   UNL     1       2.494  -5.256   0.257  1.00  0.00           H  
HETATM  177  H   UNL     1      -0.034  -4.917   1.085  1.00  0.00           H  
CONECT    1   77  104  105                                            
CONECT    2   79    3    3                                            
CONECT    3    2    2   81                                            
CONECT    4   24  106  107    5                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5  108    7                                       
CONECT    7    6    8    8   55                                       
CONECT    8    7    7    9   56                                       
CONECT    9    8   10   10  109                                       
CONECT   10    9    9    5   11                                       
CONECT   11   10   12  110  111                                       
CONECT   12   11   17   13   13                                       
CONECT   13   12   12   14  112                                       
CONECT   14   13   15   15   58                                       
CONECT   15   14   14   59   16                                       
CONECT   16   15  113   17   17                                       
CONECT   17   12   16   16   18                                       
CONECT   18   17  114  115   19                                       
CONECT   19   18   20   24   24                                       
CONECT   20   19  116   21   21                                       
CONECT   21   20   20   61   22                                       
CONECT   22   21   23   23   62                                       
CONECT   23   22   22   24  117                                       
CONECT   24    4   23   19   19                                       
CONECT   25   26  118  119   45                                       
CONECT   26   25   31   31   27                                       
CONECT   27   26   28   28  120                                       
CONECT   28   27   27   29   63                                       
CONECT   29   28   64   30   30                                       
CONECT   30   29   29  121   31                                       
CONECT   31   26   26   30   32                                       
CONECT   32   31  122  123   33                                       
CONECT   33   32   34   38   38                                       
CONECT   34   33   35   35  124                                       
CONECT   35   34   34   57   36                                       
CONECT   36   35   65   37   37                                       
CONECT   37   36   36  125   38                                       
CONECT   38   33   33   37   39                                       
CONECT   39   38   40  126  127                                       
CONECT   40   39   45   41   41                                       
CONECT   41   40   40   42  128                                       
CONECT   42   41   43   43   60                                       
CONECT   43   42   42   44   66                                       
CONECT   44   43  129   45   45                                       
CONECT   45   40   25   44   44                                       
CONECT   46   47  130   65  174                                       
CONECT   47   46  131   55  175                                       
CONECT   48  132  133  134   57                                       
CONECT   49   54  135   66  176                                       
CONECT   50  136  137  138   63                                       
CONECT   51   61  139  140   78                                       
CONECT   52   56  141  142   79                                       
CONECT   53  143  144  145   60                                       
CONECT   54   49   58  146  177                                       
CONECT   55    7   47                                                 
CONECT   56   52    8                                                 
CONECT   57   35   48                                                 
CONECT   58   54   14                                                 
CONECT   59   15   82                                                 
CONECT   60   42   53                                                 
CONECT   61   21   51                                                 
CONECT   62   22  101                                                 
CONECT   63   28   50                                                 
CONECT   64   29   78                                                 
CONECT   65   36   46                                                 
CONECT   66   43   49                                                 
CONECT   67   72   68   68   77                                       
CONECT   68   67   67   69  147                                       
CONECT   69   68   70   70  148                                       
CONECT   70   69   69   71   73                                       
CONECT   71   70  149   72   72                                       
CONECT   72   67   71   71  150                                       
CONECT   73   70  151  152   74                                       
CONECT   74   73   81  153  154                                       
CONECT   75   77   77                                                 
CONECT   76   77   77                                                 
CONECT   77    1   67   75   75                                       
CONECT   77   76   76                                                 
CONECT   78   64   51  155  156                                       
CONECT   79    2   52   80   80                                       
CONECT   80   79   79  157   81                                       
CONECT   81   74    3   80                                            
CONECT   82   59  158  159   83                                       
CONECT   83   82   84   84   85                                       
CONECT   84   83   83  160   87                                       
CONECT   85   83   86   86                                            
CONECT   86   85   85   87                                            
CONECT   87   84   86   88                                            
CONECT   88   87  161  162   89                                       
CONECT   89   88  163  164   90                                       
CONECT   90   89   91   92   92                                       
CONECT   91   90  165                                                 
CONECT   92   90   90                                                 
CONECT   93   94   95   95   97                                       
CONECT   94   93  166                                                 
CONECT   95   93   93                                                 
CONECT   96   97  167  168  100                                       
CONECT   97   96   93  169  170                                       
CONECT   98   99   99  102                                            
CONECT   99   98   98  100                                            
CONECT  100   96   99  103                                            
CONECT  101   62  102  171  172                                       
CONECT  102  101   98  103  103                                       
CONECT  103  100  102  102  173                                       
CONECT  104    1                                                      
CONECT  105    1                                                      
CONECT  106    4                                                      
CONECT  107    4                                                      
CONECT  108    6                                                      
CONECT  109    9                                                      
CONECT  110   11                                                      
CONECT  111   11                                                      
CONECT  112   13                                                      
CONECT  113   16                                                      
CONECT  114   18                                                      
CONECT  115   18                                                      
CONECT  116   20                                                      
CONECT  117   23                                                      
CONECT  118   25                                                      
CONECT  119   25                                                      
CONECT  120   27                                                      
CONECT  121   30                                                      
CONECT  122   32                                                      
CONECT  123   32                                                      
CONECT  124   34                                                      
CONECT  125   37                                                      
CONECT  126   39                                                      
CONECT  127   39                                                      
CONECT  128   41                                                      
CONECT  129   44                                                      
CONECT  130   46                                                      
CONECT  131   47                                                      
CONECT  132   48                                                      
CONECT  133   48                                                      
CONECT  134   48                                                      
CONECT  135   49                                                      
CONECT  136   50                                                      
CONECT  137   50                                                      
CONECT  138   50                                                      
CONECT  139   51                                                      
CONECT  140   51                                                      
CONECT  141   52                                                      
CONECT  142   52                                                      
CONECT  143   53                                                      
CONECT  144   53                                                      
CONECT  145   53                                                      
CONECT  146   54                                                      
CONECT  147   68                                                      
CONECT  148   69                                                      
CONECT  149   71                                                      
CONECT  150   72                                                      
CONECT  151   73                                                      
CONECT  152   73                                                      
CONECT  153   74                                                      
CONECT  154   74                                                      
CONECT  155   78                                                      
CONECT  156   78                                                      
CONECT  157   80                                                      
CONECT  158   82                                                      
CONECT  159   82                                                      
CONECT  160   84                                                      
CONECT  161   88                                                      
CONECT  162   88                                                      
CONECT  163   89                                                      
CONECT  164   89                                                      
CONECT  165   91                                                      
CONECT  166   94                                                      
CONECT  167   96                                                      
CONECT  168   96                                                      
CONECT  169   97                                                      
CONECT  170   97                                                      
CONECT  171  101                                                      
CONECT  172  101                                                      
CONECT  173  103                                                      
CONECT  174   46                                                      
CONECT  175   47                                                      
CONECT  176   49                                                      
CONECT  177   54                                                      
MASTER        0    0    0    0    0    0    0    0  177    0  177    0
END
