REMARK  Name = BDB040439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.451   0.695  -1.521  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.315   1.682  -1.043  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.614   1.359  -0.626  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.560   2.678  -0.018  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.100   0.035  -0.676  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.202  -0.955  -1.132  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        2.607  -2.638  -1.189  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        0.904  -0.627  -1.547  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.526  -0.290  -0.235  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        5.323  -1.075  -1.274  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        5.228  -0.878  -2.484  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.240  -1.977  -0.788  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.771  -2.479  -1.486  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.686  -2.105   0.502  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        7.652  -2.812   0.772  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        5.988  -1.263   1.543  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        4.553  -0.966   1.140  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.954   1.030  -1.945  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.599  -0.293  -0.662  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.868   0.864  -0.839  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.882   1.580  -0.127  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.572  -1.216  -1.472  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.455  -0.344   1.821  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -3.448  -0.339   0.637  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -4.234  -1.667   0.689  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.459   0.818   0.672  0.00  0.00    -0.025 A 
ATOM     27  C   LIG    1       -4.646   1.639   1.789  0.00  0.00    +0.064 A 
ATOM     28  C   LIG    1       -5.589   2.659   1.734  0.00  0.00    +0.216 A 
ATOM     29  F   LIG    1       -5.741   3.435   2.816  0.00  0.00    -0.184 F 
ATOM     30  N   LIG    1       -6.358   2.929   0.666  0.00  0.00    -0.191 NA
ATOM     31  C   LIG    1       -6.183   2.125  -0.395  0.00  0.00    +0.216 A 
ATOM     32  F   LIG    1       -6.939   2.356  -1.478  0.00  0.00    -0.184 F 
ATOM     33  C   LIG    1       -5.271   1.079  -0.443  0.00  0.00    +0.064 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5