REMARK  Name = BDB063587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.075   0.866   2.304  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -3.236  -0.181  -0.479  0.00  0.00    +0.159 A 
ATOM      3  C   LIG    1       -2.359  -1.159   0.009  0.00  0.00    +0.084 A 
ATOM      4 CL   LIG    1       -2.464  -2.808  -0.495  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1       -1.352  -0.826   0.922  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -1.187   0.498   1.349  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -2.030   1.484   0.820  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -3.037   1.151  -0.094  0.00  0.00    +0.084 A 
ATOM      9 CL   LIG    1       -3.990   2.444  -0.723  0.00  0.00    -0.080 Cl
BRANCH   2  10
ATOM     10  O   LIG    1       -4.180  -0.530  -1.407  0.00  0.00    -0.472 OA
BRANCH  10  12
ATOM     11  C   LIG    1       -5.919  -2.160  -1.378  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.551  -0.721  -0.980  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1       -5.825  -0.526   0.523  0.00  0.00    +0.067 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -6.441   0.215  -1.839  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -6.043   0.890  -2.780  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.760   0.214  -1.515  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -8.029  -0.388  -0.799  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2  10
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  N   LIG    1        1.143   1.185   1.598  0.00  0.00    -0.220 N 
ATOM     19  C   LIG    1        2.105   0.269   1.264  0.00  0.00    +0.316 C 
ATOM     20  O   LIG    1        2.042  -0.916   1.557  0.00  0.00    -0.252 OA
ATOM     21  N   LIG    1        3.119   0.939   0.561  0.00  0.00    -0.246 N 
ATOM     22  C   LIG    1        2.798   2.343   0.430  0.00  0.00    +0.211 C 
ATOM     23  C   LIG    1        1.473   2.426   1.150  0.00  0.00    +0.241 C 
ATOM     24  O   LIG    1        0.820   3.450   1.296  0.00  0.00    -0.273 OA
BRANCH  21  25
ATOM     25  C   LIG    1        4.308   0.379   0.021  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        5.228   1.189  -0.664  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        6.408   0.658  -1.203  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        6.707  -0.702  -1.068  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        5.791  -1.518  -0.396  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        4.612  -0.983   0.142  0.00  0.00    +0.024 A 
BRANCH  28  31
ATOM     31  C   LIG    1        7.965  -1.280  -1.667  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        9.001  -0.395  -1.684  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.789  -1.675  -2.958  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        8.424  -2.374  -0.998  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   1  18
TORSDOF 8