REMARK  Name = BDB012284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.234  -1.094   1.070  0.00  0.00    -0.214 N 
ATOM      2  C   LIG    1       -1.456  -1.254   0.412  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -2.148  -2.216   1.124  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.293  -2.599   2.162  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1       -0.140  -1.936   2.143  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.894  -0.539  -0.782  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.394  -0.892  -2.042  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -1.827  -0.204  -3.171  0.00  0.00    +0.159 A 
ATOM      9  F   LIG    1       -1.337  -0.540  -4.373  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -2.759   0.821  -3.059  0.00  0.00    +0.158 A 
ATOM     11  F   LIG    1       -3.171   1.480  -4.151  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -3.274   1.171  -1.816  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -2.844   0.488  -0.676  0.00  0.00    +0.013 A 
ENDBRANCH   2   6
BRANCH   1  16
ATOM     14  C   LIG    1        3.015   0.673   1.247  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        1.991  -0.225   1.544  0.00  0.00    +0.063 A 
ATOM     16  C   LIG    1        0.838  -0.185   0.767  0.00  0.00    +0.155 A 
ATOM     17  N   LIG    1        0.696   0.693  -0.262  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        1.719   1.529  -0.540  0.00  0.00    +0.114 A 
ATOM     19  C   LIG    1        2.894   1.560   0.180  0.00  0.00    +0.035 A 
BRANCH  14  21
ATOM     20  O   LIG    1        4.799  -0.406   2.378  0.00  0.00    -0.245 OA
ATOM     21  C   LIG    1        4.248   0.631   2.059  0.00  0.00    +0.337 C 
BRANCH  21  22
ATOM     22  O   LIG    1        4.672   1.857   2.427  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        4.042   2.582   2.254  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  14  21
ENDBRANCH   1  16
TORSDOF 4