REMARK  Name = BDB011686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.655  -0.454   0.802  0.00  0.00    +0.092 A 
ATOM      2  C   LIG    1       -0.811   0.744   0.198  0.00  0.00    +0.152 A 
ATOM      3  C   LIG    1       -2.174   1.262  -0.043  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -3.282   0.463   0.289  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -4.590   0.906   0.069  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -4.789   2.162  -0.485  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -3.714   2.979  -0.815  0.00  0.00    +0.039 A 
ATOM      8  F   LIG    1       -6.037   2.599  -0.700  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -3.056  -0.868   0.903  0.00  0.00    +0.257 A 
ATOM     10  O   LIG    1       -3.986  -1.606   1.205  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -2.408   2.533  -0.594  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1       -1.748  -1.225   1.124  0.00  0.00    -0.319 N 
ATOM     13  H   LIG    1       -1.613  -2.119   1.582  0.00  0.00    +0.169 HD
ENDROOT
BRANCH   1  20
ATOM     14  C   LIG    1        2.707  -4.133   0.313  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1        2.321  -2.808   0.908  0.00  0.00    -0.032 A 
ATOM     16  C   LIG    1        3.180  -2.101   1.763  0.00  0.00    +0.044 A 
ATOM     17 CL   LIG    1        4.740  -2.710   2.183  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1        2.792  -0.872   2.301  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        1.543  -0.332   1.990  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        0.669  -1.014   1.135  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        1.066  -2.252   0.604  0.00  0.00    +0.015 A 
ENDBRANCH   1  20
BRANCH   2  22
ATOM     22  O   LIG    1        0.240   1.575  -0.142  0.00  0.00    -0.488 OA
BRANCH  22  23
ATOM     23  C   LIG    1        0.758   1.255  -1.443  0.00  0.00    +0.244 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.956   2.170  -1.713  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1        2.571   1.914  -3.014  0.00  0.00    -0.327 NA
ATOM     26  H   LIG    1        2.970   0.975  -3.025  0.00  0.00    +0.118 HD
ATOM     27  H   LIG    1        3.357   2.551  -3.143  0.00  0.00    +0.118 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 5