REMARK  Name = BDB051843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.670  -1.252  -0.201  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.378  -1.787  -1.450  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.320  -1.876  -2.399  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.091  -2.228  -1.734  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.910  -2.131  -0.761  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.634  -1.581   0.504  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.680  -1.171   0.784  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -3.698  -1.536   0.851  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -3.032  -0.809   0.118  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -3.472   0.417  -0.375  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -2.742   1.213  -1.371  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -3.104   2.708  -1.316  0.00  0.00    +0.100 C 
ATOM     13  N   LIG    1       -4.555   2.958  -1.342  0.00  0.00    -0.313 NA
ATOM     14  H   LIG    1       -4.933   2.580  -2.211  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -5.179   2.238  -0.216  0.00  0.00    +0.100 C 
ATOM     16  C   LIG    1       -4.896   0.726  -0.236  0.00  0.00    +0.123 C 
ENDBRANCH   1   9
BRANCH   6  17
ATOM     17  C   LIG    1        1.682  -1.480   1.597  0.00  0.00    +0.090 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.100  -1.248   1.129  0.00  0.00    +0.046 A 
ATOM     19  N   LIG    1        3.556  -0.006   0.615  0.00  0.00    -0.296 N 
ATOM     20  C   LIG    1        4.872   0.114   0.157  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1        5.076   1.387  -0.337  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1        3.877   2.096  -0.159  0.00  0.00    +0.078 A 
ATOM     23 CL   LIG    1        3.654   3.722  -0.600  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        5.801  -0.988   0.229  0.00  0.00    +0.273 A 
ATOM     25  O   LIG    1        6.965  -0.944  -0.153  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1        5.275  -2.138   0.775  0.00  0.00    -0.326 N 
ATOM     27  H   LIG    1        5.919  -2.919   0.833  0.00  0.00    +0.168 HD
ATOM     28  C   LIG    1        2.979   1.242   0.437  0.00  0.00    +0.133 A 
ATOM     29 CL   LIG    1        1.391   1.625   0.937  0.00  0.00    -0.062 Cl
ATOM     30  C   LIG    1        3.979  -2.271   1.205  0.00  0.00    +0.108 A 
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 3