REMARK  Name = BDB022061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.934  -1.061  -0.234  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.179  -2.312   0.234  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        1.077  -2.544  -0.596  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        1.933  -1.361  -0.624  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        3.284  -1.589  -0.919  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        3.741  -2.693  -1.202  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.271  -0.121  -1.029  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.011   0.147  -0.214  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.230  -0.449  -0.856  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        5.150  -0.274  -1.895  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        6.068   0.777  -1.839  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        6.073   1.635  -0.738  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        7.204   2.930  -0.671  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        5.174   1.448   0.313  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        4.254   0.398   0.260  0.00  0.00    +0.014 A 
ENDBRANCH   5   9
BRANCH   1  17
ATOM     16  O   LIG    1       -2.348  -1.399   1.691  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -2.163  -0.798   0.639  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1       -2.996   0.171   0.099  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1       -2.735   0.539  -0.807  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.193   0.679   0.648  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -4.884   1.637  -0.106  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -6.076   2.189   0.372  0.00  0.00    +0.078 A 
ATOM     23 CL   LIG    1       -6.902   3.364  -0.579  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1       -6.582   1.788   1.603  0.00  0.00    +0.142 A 
ATOM     25  F   LIG    1       -7.724   2.306   2.079  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1       -5.907   0.841   2.362  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -4.714   0.287   1.886  0.00  0.00    +0.026 A 
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 3