REMARK  Name = BDB052299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.891  -0.760  -0.166  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.594  -0.457   0.302  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1       -3.434   0.228   1.560  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.095   0.395   1.767  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1       -1.476  -0.169   0.671  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1       -4.432   0.655   2.428  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -5.713   0.336   1.935  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -2.374  -0.658  -0.225  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1       -5.938  -0.340   0.696  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -0.078  -0.265   0.414  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        0.866   0.251   1.311  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.232   0.142   1.029  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        2.678  -0.481  -0.145  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        1.730  -0.995  -1.039  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        0.364  -0.889  -0.762  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1        4.157  -0.594  -0.436  0.00  0.00    +0.116 C 
BRANCH  16  17
ATOM     17  N   LIG    1        4.753   0.728  -0.617  0.00  0.00    -0.310 NA
ATOM     18  H   LIG    1        4.248   1.224  -1.350  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1        6.179   0.630  -0.951  0.00  0.00    +0.114 C 
BRANCH  19  20
ATOM     20  C   LIG    1        6.824   2.003  -1.146  0.00  0.00    +0.228 C 
ATOM     21  F   LIG    1        6.885   2.663   0.042  0.00  0.00    -0.248 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  25
ATOM     22  N   LIG    1       -6.247  -1.075  -2.135  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -6.682  -0.177  -1.974  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -6.332  -1.474  -3.061  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -5.141  -1.472  -1.429  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -4.428  -2.373  -1.845  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 6