REMARK  Name = BDB059074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.860  -0.341   0.081  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1        0.234   0.869  -0.333  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.131   0.578  -0.328  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1       -2.129   1.439  -0.638  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -1.750   2.691  -0.958  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -0.431   3.103  -1.016  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -2.846   3.669  -1.274  0.00  0.00    +0.065 C 
ATOM      8  N   LIG    1       -1.257  -0.755   0.049  0.00  0.00    -0.214 N 
ATOM      9  C   LIG    1        0.572   2.179  -0.713  0.00  0.00    +0.073 A 
ATOM     10  N   LIG    1       -0.038  -1.315   0.269  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.433  -1.554   0.214  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -3.721  -1.037   0.006  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -4.844  -1.854   0.178  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -4.685  -3.181   0.557  0.00  0.00    +0.124 A 
ATOM     15  F   LIG    1       -5.764  -3.956   0.720  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -3.421  -3.712   0.769  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -2.295  -2.902   0.599  0.00  0.00    +0.030 A 
ENDBRANCH   8  11
BRANCH   9  18
ATOM     18  C   LIG    1        1.952   2.634  -0.844  0.00  0.00    +0.338 C 
ATOM     19  O   LIG    1        2.587   3.135   0.062  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        2.391   2.490  -2.111  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        1.761   2.057  -2.720  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH   9  18
BRANCH   1  22
ATOM     22  C   LIG    1        2.307  -0.698   0.356  0.00  0.00    +0.040 C 
BRANCH  22  24
ATOM     23  C   LIG    1        2.144  -0.385   2.892  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        2.867   0.007   1.608  0.00  0.00    +0.006 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1        3.209  -0.503  -0.878  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        4.418  -1.432  -0.876  0.00  0.00    +0.004 C 
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 6