REMARK  Name = BDB040641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.133  -0.490   0.484  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1        1.565  -1.641   1.118  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1        2.367  -2.571   1.661  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        0.188  -1.847   1.241  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.631  -0.869   0.731  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -2.087  -0.775   0.686  0.00  0.00    +0.255 C 
ATOM      7  N   LIG    1       -2.386   0.426   0.102  0.00  0.00    -0.222 N 
ATOM      8  C   LIG    1       -1.252   1.080  -0.300  0.00  0.00    +0.255 C 
ATOM      9  O   LIG    1       -1.147   2.135  -0.895  0.00  0.00    -0.270 OA
ATOM     10  O   LIG    1       -2.837  -1.644   1.085  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -0.120   0.262   0.128  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        1.241   0.481  -0.007  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -3.720   0.859  -0.282  0.00  0.00    +0.171 C 
ATOM     14  C   LIG    1       -4.173   0.064  -1.512  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1       -3.400  -0.490  -2.291  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -5.530   0.052  -1.747  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -5.832  -0.462  -2.564  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -6.530   0.521  -0.931  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -7.711   0.383  -1.235  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -6.098   1.263   0.312  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -4.762   0.748   0.828  0.00  0.00    +0.041 C 
ENDBRANCH   7  13
BRANCH   1  24
ATOM     22  C   LIG    1        5.610   1.032   0.265  0.00  0.00    +0.100 C 
ATOM     23  C   LIG    1        4.078   0.997   0.058  0.00  0.00    +0.120 C 
ATOM     24  N   LIG    1        3.530  -0.332   0.400  0.00  0.00    -0.325 N 
ATOM     25  C   LIG    1        4.240  -1.448  -0.275  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.769  -1.332  -0.069  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1        6.327  -0.026  -0.475  0.00  0.00    -0.313 NA
ATOM     28  H   LIG    1        6.145   0.101  -1.470  0.00  0.00    +0.122 HD
ENDBRANCH   1  24
TORSDOF 2