REMARK  Name = BDB004705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.918   0.560   0.181  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -1.597   0.123   0.116  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.236  -1.082  -0.540  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -2.223  -1.890  -1.128  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1       -1.882  -3.053  -1.728  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -0.592  -3.408  -1.730  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        0.413  -2.709  -1.209  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -3.555  -1.434  -1.062  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        0.095  -1.542  -0.631  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -3.893  -0.221  -0.421  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -4.255   3.671   1.849  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.387   2.383   1.074  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -3.165   1.771   0.860  0.00  0.00    -0.286 N 
ATOM     14  H   LIG    1       -2.357   2.236   1.256  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -5.486   1.970   0.727  0.00  0.00    -0.276 OA
ENDBRANCH   1  13
BRANCH   8  16
ATOM     16  C   LIG    1       -4.699  -2.189  -1.666  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -5.822  -1.705  -1.752  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1       -4.474  -3.452  -2.129  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -5.224  -3.926  -2.610  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -3.530  -3.823  -2.181  0.00  0.00    +0.145 HD
ENDBRANCH   8  16
BRANCH   9  21
ATOM     21  N   LIG    1        1.136  -0.759  -0.084  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.108   0.163  -0.511  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.467  -1.343  -0.201  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.462  -0.394   0.434  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.305   0.403  -0.356  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        5.223   1.301   0.226  0.00  0.00    +0.073 A 
ATOM     27  C   LIG    1        5.278   1.391   1.621  0.00  0.00    +0.053 A 
ATOM     28 CL   LIG    1        6.364   2.463   2.429  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1        4.437   0.607   2.416  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1        3.534  -0.278   1.827  0.00  0.00    +0.006 A 
BRANCH  26  31
ATOM     31  C   LIG    1        6.114   2.140  -0.651  0.00  0.00    +0.419 C 
ATOM     32  F   LIG    1        5.918   3.477  -0.487  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.440   1.912  -0.443  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        5.915   1.911  -1.983  0.00  0.00    -0.166 F 
ENDBRANCH  26  31
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 6