REMARK  Name = BDB020519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.293   0.030   0.702  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1        2.178  -0.748   0.977  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.925  -0.197   0.662  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1        0.793   1.109   0.143  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.992   1.821  -0.046  0.00  0.00    +0.072 A 
ATOM      6  C   LIG    1        1.937   3.118  -0.531  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.728   3.742  -0.835  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.462   3.049  -0.662  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.446   1.730  -0.189  0.00  0.00    +0.011 A 
ATOM     10  N   LIG    1        3.198   1.296   0.216  0.00  0.00    -0.246 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.708   1.025  -0.048  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -2.620   0.775  -1.054  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -2.689   1.075  -2.496  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -4.081   1.178  -2.917  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -5.115   0.456  -2.333  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -4.764  -0.461  -1.160  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -4.537  -1.879  -1.679  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -6.273   0.496  -2.757  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -4.348   1.990  -4.090  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.606   0.043  -0.448  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -3.290  -0.097   0.873  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -2.134   0.473   1.138  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -4.147  -0.822   1.949  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.461  -1.411   3.153  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.026  -2.315   2.098  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  28
ATOM     26  C   LIG    1        5.800   1.665   2.021  0.00  0.00    +0.068 C 
ATOM     27  C   LIG    1        5.776   0.296   1.451  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1        4.666  -0.404   0.899  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        5.198  -1.607   0.483  0.00  0.00    +0.118 A 
ATOM     30  N   LIG    1        6.513  -1.589   0.841  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        7.478  -2.640   0.642  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        6.897  -0.442   1.424  0.00  0.00    -0.176 NA
ENDBRANCH   1  28
BRANCH   2  33
ATOM     33  C   LIG    1        2.238  -2.119   1.576  0.00  0.00    +0.374 C 
ATOM     34  F   LIG    1        2.506  -3.088   0.655  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1        3.163  -2.266   2.566  0.00  0.00    -0.204 F 
ENDBRANCH   2  33
TORSDOF 4