REMARK  Name = BDB013169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.128  -0.299  -0.719  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.671   0.835  -1.339  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -1.995   1.187  -1.246  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -2.207   2.287  -1.939  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -1.003   2.677  -2.483  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.831   0.363  -0.450  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.236  -0.699   0.135  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -0.094   1.804  -2.107  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -0.908  -1.055   0.008  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.268   0.615  -0.210  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.761   1.773   0.417  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1       -6.102   1.985   0.590  0.00  0.00    -0.254 NA
ATOM     13  C   LIG    1       -6.962   1.042   0.154  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -6.564  -0.124  -0.467  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -5.202  -0.336  -0.652  0.00  0.00    +0.012 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -3.831   2.869   0.913  0.00  0.00    +0.390 C 
ATOM     17  F   LIG    1       -2.695   2.393   1.507  0.00  0.00    -0.202 F 
ATOM     18  F   LIG    1       -4.398   3.682   1.856  0.00  0.00    -0.202 F 
ENDBRANCH  11  16
ENDBRANCH   6  10
BRANCH   1  19
ATOM     19  N   LIG    1        1.211  -0.579  -0.892  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.668  -0.217  -1.721  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.778  -1.839  -0.440  0.00  0.00    +0.143 C 
BRANCH  21  24
ATOM     22  F   LIG    1        3.358  -3.153  -2.395  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.005  -2.419  -1.478  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1        3.275  -1.753  -0.485  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.004  -0.995   0.427  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.537  -0.125   1.534  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        4.872   0.111   2.242  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        5.949  -0.104   1.301  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        5.387  -0.906   0.342  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        6.108  -1.555  -0.640  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        5.401  -2.327  -1.561  0.00  0.00    +0.042 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5