REMARK  Name = BDB013046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.464   0.316   0.337  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.285  -0.593   1.008  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        2.642  -0.666   0.811  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        3.134  -1.634   1.559  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        2.095  -2.179   2.283  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.219   0.261  -0.102  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.356   1.115  -0.700  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.000  -1.527   1.960  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.990   1.174  -0.495  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.658   0.317  -0.443  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        5.362   1.519  -0.523  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1        6.677   1.625  -0.833  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1        7.340   0.471  -1.052  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        6.749  -0.778  -0.981  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.392  -0.852  -0.670  0.00  0.00    +0.011 A 
ENDBRANCH   6  10
BRANCH   1  16
ATOM     16  N   LIG    1       -0.894   0.335   0.559  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.254   1.216   0.194  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.714  -0.747   0.020  0.00  0.00    +0.143 C 
BRANCH  18  21
ATOM     19  F   LIG    1       -2.710  -2.044   2.317  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -3.559  -1.243   1.656  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1       -3.126  -0.587   0.495  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.049   0.236  -0.144  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.896   1.117  -1.327  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.367   1.440  -1.591  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.117   1.246  -0.372  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.336   0.389   0.359  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -5.763  -0.251   1.505  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -4.857  -1.085   2.159  0.00  0.00    +0.042 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4