REMARK  Name = BDB042753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.209  -0.387   0.650  0.00  0.00    +0.074 C 
ATOM      2  C   LIG    1        1.026  -0.984  -0.015  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1        2.250  -0.173  -0.050  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1        3.339  -0.654  -0.767  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.236  -1.982  -1.385  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1        2.054  -2.656  -1.181  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        1.963  -3.575  -1.605  0.00  0.00    +0.192 HD
ATOM      8  O   LIG    1        4.166  -2.454  -2.029  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1        4.501   0.109  -0.870  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        4.540   1.349  -0.245  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1        5.641   2.103  -0.351  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        3.457   1.823   0.497  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1        2.307   1.042   0.642  0.00  0.00    +0.040 A 
ATOM     14  N   LIG    1        1.207   1.533   1.357  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1        1.462   2.189   2.093  0.00  0.00    +0.146 HD
ATOM     16  N   LIG    1        0.952  -2.173  -0.538  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1        0.269   0.499   1.810  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   1  20
ATOM     18  C   LIG    1       -2.831   2.128  -0.389  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1       -2.282   0.979   0.331  0.00  0.00    -0.302 NA
ATOM     20  C   LIG    1       -1.105   0.392  -0.364  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1       -1.542  -0.444  -1.590  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -2.580  -1.504  -1.240  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -3.769  -0.865  -0.535  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -3.320  -0.012   0.651  0.00  0.00    +0.084 C 
ENDBRANCH   1  20
TORSDOF 1