REMARK  Name = BDB042761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.334  -1.323   0.367  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -1.424  -1.006  -0.651  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -2.217   0.211  -0.433  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -3.111   0.599  -1.422  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -3.278  -0.273  -2.593  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1       -2.527  -1.427  -2.602  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -2.622  -2.038  -3.408  0.00  0.00    +0.192 HD
ATOM      8  O   LIG    1       -4.057   0.019  -3.493  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -3.838   1.780  -1.281  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -3.642   2.550  -0.141  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -4.317   3.698  -0.000  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.762   2.150   0.867  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1       -2.067   0.944   0.753  0.00  0.00    +0.040 A 
ATOM     14  N   LIG    1       -1.154   0.553   1.751  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1       -1.418   0.900   2.673  0.00  0.00    +0.146 HD
ATOM     16  N   LIG    1       -1.590  -1.787  -1.676  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1       -0.865  -0.882   1.737  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        3.500   1.262   1.278  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        3.359  -0.046   0.641  0.00  0.00    -0.305 NA
ATOM     20  C   LIG    1        2.098  -0.708   1.015  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        1.006  -0.658  -0.069  0.00  0.00    +0.014 C 
ATOM     22  C   LIG    1        1.537  -1.304  -1.371  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        3.048  -1.158  -1.545  0.00  0.00    +0.016 C 
ATOM     24  C   LIG    1        3.572   0.066  -0.807  0.00  0.00    +0.084 C 
ENDBRANCH   1  21
TORSDOF 1