REMARK  Name = BDB019566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.748   0.298  -0.750  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.203  -0.410  -0.081  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1       -1.492  -0.040  -0.267  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -1.847   1.043  -1.074  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -0.854   1.765  -1.751  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.476   1.376  -1.582  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.482  -0.828   0.483  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -3.541  -1.533  -0.125  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1       -3.753  -1.575  -1.843  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -4.456  -2.261   0.642  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -4.317  -2.299   2.022  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -5.193  -2.997   2.755  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.280  -1.628   2.654  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -2.367  -0.901   1.888  0.00  0.00    +0.014 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  O   LIG    1        3.106   0.479  -1.016  0.00  0.00    -0.269 OA
ATOM     16  C   LIG    1        2.165  -0.138  -0.531  0.00  0.00    +0.263 C 
ATOM     17  N   LIG    1        2.293  -1.257   0.260  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1        1.434  -1.618   0.666  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.566  -1.748   0.718  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.869  -1.225   2.099  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1        4.459   0.037   2.263  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        4.710   0.536   3.542  0.00  0.00    +0.043 A 
ATOM     23 CL   LIG    1        5.434   2.086   3.725  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        4.375  -0.206   4.671  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        3.779  -1.454   4.512  0.00  0.00    +0.043 A 
ATOM     26 CL   LIG    1        3.348  -2.376   5.899  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        3.522  -1.965   3.238  0.00  0.00    +0.025 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  16
BRANCH   5  28
ATOM     28  C   LIG    1       -1.208   2.926  -2.644  0.00  0.00    +0.158 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -1.884   2.488  -3.852  0.00  0.00    -0.332 N 
ATOM     30  C   LIG    1       -3.208   2.667  -4.135  0.00  0.00    +0.199 A 
ATOM     31  N   LIG    1       -3.513   2.187  -5.319  0.00  0.00    -0.244 NA
ATOM     32  C   LIG    1       -2.340   1.685  -5.820  0.00  0.00    +0.130 A 
ATOM     33  C   LIG    1       -1.309   1.871  -4.929  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6