REMARK  Name = BDB040508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.588   1.297   1.815  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.760   0.936   1.250  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.407  -0.242   1.626  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.646  -0.593   1.070  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.349  -2.059   1.672  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.274   0.217   0.098  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.610   1.409  -0.262  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.272   2.540  -1.395  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.373   1.756   0.299  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.614  -0.151  -0.537  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.643  -1.554  -1.137  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -3.679  -2.063  -1.707  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -5.847  -2.215  -1.090  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -5.857  -3.137  -1.503  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.073  -1.702  -0.750  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.101  -2.350  -0.923  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.093  -0.280  -0.245  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.780   0.083   0.430  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.217   1.689  -0.004  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.641   0.856   0.933  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.870  -0.132   0.920  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.940   2.885  -0.073  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.773   2.039  -1.966  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        3.236   1.012  -0.945  0.00  0.00    +0.083 C 
ATOM     25  C   LIG    1        2.504  -0.082  -1.756  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.389   0.445  -0.111  0.00  0.00    +0.059 A 
ATOM     27  N   LIG    1        4.499  -0.901  -0.022  0.00  0.00    -0.231 NA
ATOM     28  C   LIG    1        5.506  -1.417   0.725  0.00  0.00    +0.196 A 
ATOM     29  N   LIG    1        6.394  -0.661   1.409  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1        6.245   0.672   1.315  0.00  0.00    +0.115 A 
ATOM     31  C   LIG    1        5.258   1.278   0.572  0.00  0.00    +0.044 A 
BRANCH  28  32
ATOM     32  C   LIG    1        5.625  -2.929   0.829  0.00  0.00    +0.408 C 
ATOM     33  F   LIG    1        5.666  -3.560  -0.383  0.00  0.00    -0.201 F 
ATOM     34  F   LIG    1        4.589  -3.505   1.510  0.00  0.00    -0.201 F 
ENDBRANCH  28  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6