REMARK  Name = BDB051849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.772  -0.492   1.641  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.021   0.602   2.461  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.270   1.042   2.667  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.033   1.255   3.092  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.343   0.804   2.906  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.610  -0.305   2.085  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.534  -0.966   1.472  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -2.108  -2.349   1.391  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.877  -1.209   0.991  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -2.572  -0.600  -0.057  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -3.665  -1.380  -0.643  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -4.642  -0.631  -1.566  0.00  0.00    +0.100 C 
ATOM     13  N   LIG    1       -5.200   0.600  -0.997  0.00  0.00    -0.314 NA
ATOM     14  H   LIG    1       -5.311   0.482   0.012  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -4.359   1.764  -1.261  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -3.053   1.802  -0.470  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1       -2.131   0.618  -0.743  0.00  0.00    +0.109 C 
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  C   LIG    1        3.033  -0.801   1.916  0.00  0.00    +0.090 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.442  -1.044   0.482  0.00  0.00    +0.044 A 
ATOM     20  N   LIG    1        3.635   0.034  -0.399  0.00  0.00    -0.313 N 
ATOM     21  C   LIG    1        4.004  -0.164  -1.718  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        4.104   1.065  -2.339  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        3.797   2.041  -1.370  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        3.782   3.715  -1.638  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        4.216  -1.496  -2.230  0.00  0.00    +0.273 A 
ATOM     26  O   LIG    1        4.540  -1.758  -3.383  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        4.023  -2.501  -1.297  0.00  0.00    -0.326 N 
ATOM     28  H   LIG    1        4.170  -3.442  -1.643  0.00  0.00    +0.168 HD
ATOM     29  C   LIG    1        3.521   1.391  -0.190  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        3.651  -2.291   0.011  0.00  0.00    +0.108 A 
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3