REMARK  Name = BDB039928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.698   2.100   0.558  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.508   1.382   0.340  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -0.244   0.840   1.398  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.196   1.089   2.702  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        1.358   1.827   2.942  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.105   2.324   1.879  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.396   0.051   1.132  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -2.269  -0.495   2.077  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1       -2.303  -0.398   3.290  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -3.262  -1.284   1.337  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -4.329  -2.011   1.833  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -5.130  -2.687   0.914  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.851  -2.619  -0.463  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -3.766  -1.867  -0.956  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -2.973  -1.205  -0.021  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1       -1.762  -0.352  -0.224  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.461  -1.812  -2.430  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -4.519  -2.165  -3.211  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -3.095  -0.567  -2.843  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -2.443  -2.642  -2.778  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1        2.536   2.677  -0.567  0.00  0.00    +0.203 C 
ATOM     22  F   LIG    1        3.869   2.707  -0.238  0.00  0.00    -0.240 F 
BRANCH  21  23
ATOM     23  C   LIG    1        2.436   2.049  -1.964  0.00  0.00    +0.118 C 
BRANCH  23  26
ATOM     24  C   LIG    1        5.027   0.350  -1.355  0.00  0.00    +0.151 C 
ATOM     25  N   LIG    1        3.726  -0.146  -1.715  0.00  0.00    -0.320 N 
ATOM     26  C   LIG    1        2.589   0.565  -1.996  0.00  0.00    +0.136 A 
ATOM     27  N   LIG    1        1.631  -0.287  -2.310  0.00  0.00    -0.135 NA
ATOM     28  N   LIG    1        2.134  -1.559  -2.205  0.00  0.00    -0.138 NA
ATOM     29  C   LIG    1        3.391  -1.459  -1.846  0.00  0.00    +0.224 A 
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5