REMARK  Name = BDB017726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.081  -0.208   1.567  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -1.725   0.999   1.264  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.953   0.999   0.591  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -3.582  -0.195   0.212  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -4.884  -0.119  -0.489  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1       -5.539  -1.288  -0.848  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -4.955  -2.124  -0.847  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -6.638  -1.284  -1.799  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -7.544  -0.094  -1.503  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.746   1.216  -1.477  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.423   1.085  -0.767  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.736   2.347  -0.383  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -5.204   3.450  -0.649  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.928  -1.392   0.527  0.00  0.00    +0.135 A 
ATOM     15  F   LIG    1       -3.456  -2.577   0.177  0.00  0.00    -0.205 F 
ATOM     16  N   LIG    1       -3.550   2.226   0.285  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.105   3.097   0.540  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.703  -1.406   1.197  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1        0.237  -0.219   2.301  0.00  0.00    +0.120 C 
BRANCH  19  23
ATOM     20  N   LIG    1        3.941  -0.110   0.053  0.00  0.00    -0.312 N 
ATOM     21  C   LIG    1        3.326   1.117   0.631  0.00  0.00    +0.125 C 
ATOM     22  C   LIG    1        1.770   0.999   0.714  0.00  0.00    +0.075 C 
ATOM     23  N   LIG    1        1.475  -0.183   1.538  0.00  0.00    -0.289 NA
ATOM     24  C   LIG    1        1.786  -1.294   0.628  0.00  0.00    +0.075 C 
ATOM     25  C   LIG    1        1.204  -0.864  -0.725  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        1.198   0.664  -0.669  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1        3.345  -1.386   0.527  0.00  0.00    +0.125 C 
BRANCH  20  31
ATOM     28  C   LIG    1        8.113   0.107  -0.215  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1        7.328   1.129   0.283  0.00  0.00    +0.131 A 
ATOM     30  N   LIG    1        5.977   1.067   0.376  0.00  0.00    -0.239 NA
ATOM     31  C   LIG    1        5.338  -0.057  -0.023  0.00  0.00    +0.121 A 
ATOM     32  C   LIG    1        6.073  -1.120  -0.555  0.00  0.00    +0.045 A 
ATOM     33  C   LIG    1        7.467  -1.042  -0.647  0.00  0.00    +0.024 A 
BRANCH  28  35
ATOM     34  N   LIG    1       10.686   0.350  -0.342  0.00  0.00    -0.191 NA
ATOM     35  C   LIG    1        9.532   0.242  -0.285  0.00  0.00    +0.101 C 
ENDBRANCH  28  35
ENDBRANCH  20  31
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 4