REMARK  Name = BDB040629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.862   2.303   0.402  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.430   1.800  -0.184  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1        1.634   1.910   0.521  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.839   1.416  -0.009  0.00  0.00    +0.048 A 
ATOM      5 CL   LIG    1        4.224   1.596   1.005  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        2.873   0.800  -1.269  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.645   0.681  -1.945  0.00  0.00    +0.129 A 
ATOM      8  F   LIG    1        1.606   0.065  -3.137  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        0.447   1.163  -1.425  0.00  0.00    +0.044 A 
BRANCH   6  10
ATOM     10  C   LIG    1        4.093   0.224  -1.974  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1        5.393   0.990  -1.791  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        5.527   2.159  -2.149  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        6.427   0.327  -1.176  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        7.273   0.866  -1.050  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        6.354  -0.822  -0.430  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        7.292  -1.178   0.278  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        5.043  -1.570  -0.463  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        4.279  -1.281  -1.741  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -2.466   0.437   0.602  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -1.513   1.262   1.167  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.096   1.017   2.054  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.844   0.598  -0.557  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -3.390  -0.195   2.898  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -2.988  -0.712   1.501  0.00  0.00    +0.087 C 
ATOM     25  C   LIG    1       -1.807  -1.698   1.675  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.198  -1.387   0.853  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1       -5.385  -0.825   0.281  0.00  0.00    +0.117 A 
ATOM     28  C   LIG    1       -6.106  -1.927  -0.119  0.00  0.00    +0.242 A 
ATOM     29  O   LIG    1       -5.443  -3.056   0.202  0.00  0.00    -0.362 OA
ATOM     30  N   LIG    1       -4.261  -2.730   0.823  0.00  0.00    -0.082 NA
BRANCH  27  31
ATOM     31  C   LIG    1       -5.809   0.579   0.118  0.00  0.00    +0.422 C 
ATOM     32  F   LIG    1       -5.114   1.444   0.897  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -5.706   1.008  -1.163  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -7.116   0.732   0.467  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6