REMARK  Name = BDB012962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.575   1.491   0.370  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1        0.446   0.744   0.943  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        0.339  -0.637   1.415  0.00  0.00    +0.147 C 
ATOM      4  C   LIG    1        1.401  -0.775   2.507  0.00  0.00    +0.205 C 
ATOM      5  F   LIG    1        0.829  -0.490   3.710  0.00  0.00    -0.242 F 
ATOM      6  C   LIG    1        2.424   0.311   2.173  0.00  0.00    +0.126 C 
ATOM      7  C   LIG    1        1.523   1.434   1.648  0.00  0.00    +0.133 C 
ATOM      8  O   LIG    1       -0.553   2.719   0.406  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -3.600   0.056  -1.071  0.00  0.00    +0.066 A 
ATOM     10  N   LIG    1       -2.688  -0.825  -1.502  0.00  0.00    -0.178 NA
ATOM     11  N   LIG    1       -1.526  -0.335  -1.048  0.00  0.00    -0.272 N 
ATOM     12  H   LIG    1       -0.672  -0.805  -1.323  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1       -1.652   0.774  -0.261  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1       -2.998   1.082  -0.307  0.00  0.00    +0.057 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -5.638  -1.391  -0.824  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -5.056  -0.100  -1.405  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -5.305  -0.028  -2.913  0.00  0.00    +0.014 C 
ENDBRANCH   9  16
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1        3.397  -0.124   1.168  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1        3.070  -0.646   0.369  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        4.582   0.562   1.017  0.00  0.00    +0.216 C 
ATOM     21  O   LIG    1        4.955   1.443   1.779  0.00  0.00    -0.276 OA
BRANCH  20  22
ATOM     22  C   LIG    1        5.421   0.205  -0.161  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1        4.825   0.120  -1.548  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        5.341  -1.122  -0.878  0.00  0.00    +0.013 C 
ENDBRANCH  20  22
ENDBRANCH   6  18
TORSDOF 4