REMARK  Name = BDB031105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.018  -0.065  -0.253  0.00  0.00    +0.094 A 
ATOM      2  N   LIG    1       -1.890   0.626   0.517  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -3.090   0.954   0.004  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -3.453   0.602  -1.281  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -2.547  -0.122  -2.040  0.00  0.00    +0.129 A 
ATOM      6  F   LIG    1       -2.877  -0.485  -3.287  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1       -1.310  -0.476  -1.538  0.00  0.00    +0.068 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.213   0.051  -0.566  0.00  0.00    +0.126 A 
ATOM      9  C   LIG    1        3.794  -0.535   0.578  0.00  0.00    +0.092 A 
ATOM     10  C   LIG    1        2.401  -0.636   0.864  0.00  0.00    +0.142 A 
ATOM     11  N   LIG    1        1.506  -0.137  -0.082  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1        0.234  -0.382   0.408  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1        0.447  -0.944   1.654  0.00  0.00    +0.141 A 
ATOM     14  C   LIG    1        1.929   0.486  -1.257  0.00  0.00    +0.097 A 
ATOM     15  N   LIG    1        1.779  -1.125   1.914  0.00  0.00    -0.235 NA
ATOM     16  C   LIG    1        3.244   0.589  -1.513  0.00  0.00    +0.064 A 
BRANCH   8  17
ATOM     17  O   LIG    1        5.503   0.230  -0.994  0.00  0.00    -0.489 OA
BRANCH  17  19
ATOM     18  C   LIG    1        6.890  -1.676  -0.426  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        6.596  -0.201  -0.175  0.00  0.00    +0.167 C 
ATOM     20  C   LIG    1        7.803   0.648  -0.570  0.00  0.00    +0.051 C 
ENDBRANCH  17  19
ENDBRANCH   8  17
ENDBRANCH   1  12
BRANCH   3  21
ATOM     21  N   LIG    1       -3.902   1.682   0.863  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1       -3.291   1.837   1.670  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -5.175   1.096   1.338  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.186  -0.414   1.586  0.00  0.00    +0.201 C 
ATOM     25  F   LIG    1       -5.727  -0.642   2.822  0.00  0.00    -0.242 F 
ATOM     26  C   LIG    1       -6.148  -0.961   0.541  0.00  0.00    +0.119 C 
ATOM     27  N   LIG    1       -7.144   0.105   0.323  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1       -7.793   0.085   1.115  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -6.366   1.356   0.403  0.00  0.00    +0.106 C 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 5