REMARK  Name = BDB012975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.571   1.424  -0.675  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.193   0.345  -0.269  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.630   0.343  -0.503  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.111  -1.022   0.004  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.106  -1.334   1.110  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.201  -0.794   0.543  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.028   2.419  -1.157  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.203   1.078  -0.265  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.053   2.397  -0.425  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        2.733   2.552  -0.610  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        2.367   3.481  -0.793  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.005   1.393  -0.515  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.954   0.409  -0.323  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.688  -0.219   1.285  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.572   0.492  -0.065  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        5.950  -0.456  -1.205  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.481  -1.026   0.474  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -3.677  -0.782   1.437  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.524  -1.018  -0.418  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -4.406  -1.112  -1.631  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.849  -0.860   0.216  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1       -6.938  -0.135  -0.517  0.00  0.00    +0.179 C 
ATOM     23  F   LIG    1       -8.230  -0.600  -0.354  0.00  0.00    -0.245 F 
ATOM     24  C   LIG    1       -6.302   0.511   0.671  0.00  0.00    +0.053 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4