REMARK  Name = BDB042748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.179  -1.068  -0.189  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.343   0.272   0.585  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1       -0.829   1.221   0.312  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -2.105   0.620  -0.100  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -3.192   1.463  -0.312  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -3.006   2.910  -0.138  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1       -1.758   3.312   0.273  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -1.608   4.307   0.409  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1       -3.924   3.696  -0.340  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -4.436   0.937  -0.656  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -4.571  -0.440  -0.754  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -5.765  -0.966  -1.056  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.488  -1.291  -0.532  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -2.224  -0.767  -0.237  0.00  0.00    +0.040 A 
ATOM     15  N   LIG    1       -0.690   2.501   0.510  0.00  0.00    -0.175 NA
ATOM     16  N   LIG    1       -1.162  -1.640   0.052  0.00  0.00    -0.339 N 
ATOM     17  H   LIG    1       -1.293  -2.543  -0.402  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        1.702   0.939   0.364  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        2.133   1.475  -0.864  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1        1.154   1.462  -2.289  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        3.401   2.059  -0.981  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.255   2.122   0.118  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        3.843   1.605   1.341  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.581   1.023   1.464  0.00  0.00    +0.006 A 
ENDBRANCH   2  18
BRANCH   1  26
ATOM     25  C   LIG    1        1.229  -3.328  -0.786  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        1.266  -2.130   0.172  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        1.189  -2.628   1.619  0.00  0.00    +0.009 C 
ENDBRANCH   1  26
TORSDOF 2