REMARK  Name = BDB016119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.737   1.868  -0.257  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.006   0.830   0.176  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.348   0.885   0.030  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -1.968   2.010  -0.523  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.113   3.020  -0.928  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.229   2.976  -0.820  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.085  -0.237   0.451  0.00  0.00    -0.307 N 
ATOM      8  C   LIG    1       -1.409  -1.073   1.471  0.00  0.00    +0.182 C 
ATOM      9  C   LIG    1       -2.188  -2.360   1.754  0.00  0.00    +0.266 C 
ATOM     10  F   LIG    1       -1.551  -3.097   2.700  0.00  0.00    -0.204 F 
ATOM     11  F   LIG    1       -3.405  -2.048   2.280  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1       -2.399  -3.214   0.509  0.00  0.00    +0.097 C 
ATOM     13  C   LIG    1       -2.224  -2.410  -0.789  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -2.763  -0.967  -0.645  0.00  0.00    +0.125 C 
BRANCH  13  15
ATOM     15  N   LIG    1       -2.834  -3.126  -1.919  0.00  0.00    -0.326 NA
ATOM     16  H   LIG    1       -3.837  -3.237  -1.766  0.00  0.00    +0.119 HD
ATOM     17  H   LIG    1       -2.452  -4.070  -1.980  0.00  0.00    +0.119 HD
ENDBRANCH  13  15
ENDBRANCH   3   7
BRANCH   1  20
ATOM     18  C   LIG    1        4.210   0.515   0.575  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1        2.816   0.623   0.429  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        2.204   1.776  -0.105  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.050   2.833  -0.488  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.436   2.745  -0.347  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.012   1.591   0.183  0.00  0.00    +0.008 A 
BRANCH  18  28
ATOM     24  C   LIG    1        7.325  -3.224   1.571  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        6.183  -2.343   1.554  0.00  0.00    -0.274 N 
ATOM     26  N   LIG    1        5.107  -2.641   2.303  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        4.263  -1.638   2.047  0.00  0.00    +0.142 A 
ATOM     28  C   LIG    1        4.790  -0.695   1.133  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.043  -1.192   0.833  0.00  0.00    +0.116 A 
ENDBRANCH  18  28
ENDBRANCH   1  20
BRANCH   4  30
ATOM     30  C   LIG    1       -3.405   2.188  -0.623  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1       -4.063   2.762  -1.693  0.00  0.00    +0.116 A 
ATOM     32  N   LIG    1       -5.393   2.729  -1.385  0.00  0.00    -0.274 N 
ATOM     33  C   LIG    1       -6.486   3.210  -2.195  0.00  0.00    +0.172 C 
ATOM     34  N   LIG    1       -5.652   2.176  -0.188  0.00  0.00    -0.179 NA
ATOM     35  C   LIG    1       -4.442   1.850   0.277  0.00  0.00    +0.143 A 
ENDBRANCH   4  30
TORSDOF 5