REMARK  Name = BDB022013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.733  -1.470  -0.253  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        0.056  -0.269  -0.812  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        1.298   0.046   0.016  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        2.185  -1.117   0.097  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        3.576  -1.067   0.061  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        4.293  -2.062  -0.017  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.560  -2.432   0.194  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.120  -2.345   0.679  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.240   0.248   0.072  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        4.332   1.025   1.230  0.00  0.00    +0.053 A 
ATOM     11 CL   LIG    1        3.682   0.516   2.745  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1        4.985   2.260   1.177  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        5.552   2.706  -0.020  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.478   1.918  -1.168  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.828   0.684  -1.124  0.00  0.00    +0.014 A 
ENDBRANCH   5   9
BRANCH   1  17
ATOM     16  O   LIG    1       -2.166  -1.067   1.650  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -2.018  -0.999   0.436  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1       -2.937  -0.495  -0.469  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -2.685  -0.521  -1.451  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.218   0.047  -0.208  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -4.990   0.499  -1.296  0.00  0.00    +0.039 A 
ATOM     22 BR   LIG    1       -4.340   0.393  -3.083  0.00  0.00    -0.048 Br
ATOM     23  C   LIG    1       -6.263   1.045  -1.100  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -6.782   1.148   0.188  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.029   0.706   1.273  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.755   0.160   1.077  0.00  0.00    +0.024 A 
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 3