REMARK  Name = BDB040631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.665   1.476   1.349  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.750   1.075   1.030  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1       -1.379   0.034   1.723  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.686  -0.364   1.400  0.00  0.00    +0.048 A 
ATOM      5 CL   LIG    1       -3.358  -1.645   2.346  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.395   0.264   0.363  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -2.745   1.304  -0.318  0.00  0.00    +0.129 A 
ATOM      8  F   LIG    1       -3.381   1.950  -1.308  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -1.450   1.706  -0.002  0.00  0.00    +0.044 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.805  -0.102  -0.068  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -4.968  -1.577  -0.423  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -4.088  -2.243  -0.966  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.202  -2.131  -0.177  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.303  -3.104  -0.432  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.356  -1.488   0.189  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.431  -2.079   0.215  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.243  -0.009   0.467  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.850   0.354   0.956  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.087   1.378  -0.672  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.591   0.796   0.477  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.787  -0.182   0.662  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.840   2.545  -0.971  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.445   1.227  -2.799  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        2.966   0.461  -1.547  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        2.095  -0.714  -2.048  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.162  -0.013  -0.725  0.00  0.00    +0.078 A 
ATOM     27  N   LIG    1        4.184  -1.307  -0.332  0.00  0.00    -0.153 NA
ATOM     28  N   LIG    1        5.209  -1.789   0.443  0.00  0.00    -0.148 NA
ATOM     29  C   LIG    1        6.212  -0.970   0.826  0.00  0.00    +0.129 A 
ATOM     30  C   LIG    1        6.215   0.367   0.461  0.00  0.00    +0.032 A 
ATOM     31  C   LIG    1        5.173   0.854  -0.322  0.00  0.00    +0.028 A 
BRANCH  29  32
ATOM     32  C   LIG    1        7.313  -1.540   1.676  0.00  0.00    +0.391 C 
ATOM     33  F   LIG    1        8.554  -1.294   1.163  0.00  0.00    -0.202 F 
ATOM     34  F   LIG    1        7.330  -1.009   2.934  0.00  0.00    -0.202 F 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6