REMARK  Name = BDB020840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.590  -0.321  -0.085  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.025   0.552   0.815  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -1.387   0.671   0.929  0.00  0.00    +0.168 A 
ATOM      4  N   LIG    1       -1.669   1.578   1.842  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -0.477   2.036   2.362  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.195  -0.158   0.099  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -1.517  -0.994  -0.720  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        0.494   1.395   1.752  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -0.145  -1.101  -0.831  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.728  -0.118   0.144  0.00  0.00    +0.026 C 
ATOM     11  C   LIG    1       -4.377  -1.514   0.086  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.749  -1.547   0.760  0.00  0.00    +0.160 C 
ATOM     13  O   LIG    1       -6.776  -0.940  -0.009  0.00  0.00    -0.380 OA
ATOM     14  C   LIG    1       -6.652   0.471  -0.161  0.00  0.00    +0.160 C 
ATOM     15  C   LIG    1       -5.711   0.791  -1.311  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1       -4.232   0.862  -0.932  0.00  0.00    +0.010 C 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  N   LIG    1        1.963  -0.393  -0.183  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        2.175  -1.225  -0.736  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.695   0.725  -0.778  0.00  0.00    +0.143 C 
BRANCH  19  22
ATOM     20  F   LIG    1        4.059   0.560  -3.250  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        4.774   0.314  -2.143  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1        4.153   0.384  -0.888  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.954   0.128   0.222  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.606   0.061   1.662  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        6.013   0.037   2.259  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        6.942  -0.441   1.260  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        6.298  -0.198   0.075  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        6.906  -0.283  -1.161  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        6.128  -0.016  -2.286  0.00  0.00    +0.042 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4