REMARK  Name = BDB040571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.940   2.252   0.570  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.430   1.709   0.260  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.423   1.658   1.240  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.690   1.127   0.956  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        3.800   1.091   2.285  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.011   0.633  -0.327  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.984   0.661  -1.295  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        2.190   0.021  -2.891  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        0.719   1.191  -1.004  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        4.388   0.069  -0.671  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        5.541   1.005  -0.316  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        5.474   2.228  -0.423  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        6.720   0.406   0.060  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        7.481   1.035   0.279  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.051  -0.922  -0.017  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        8.199  -1.303   0.195  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        5.959  -1.864  -0.459  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        4.586  -1.332  -0.080  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -2.642   0.513   0.155  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -1.815   1.194   1.026  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.641   0.823   1.950  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.715   0.824  -1.033  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -4.132  -0.282   2.071  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -3.428  -0.679   0.757  0.00  0.00    +0.087 C 
ATOM     25  C   LIG    1       -2.379  -1.770   1.085  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.476  -1.182  -0.236  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1       -5.455  -0.469  -1.002  0.00  0.00    +0.117 A 
ATOM     28  C   LIG    1       -6.114  -1.461  -1.693  0.00  0.00    +0.242 A 
ATOM     29  O   LIG    1       -5.611  -2.667  -1.362  0.00  0.00    -0.362 OA
ATOM     30  N   LIG    1       -4.602  -2.505  -0.442  0.00  0.00    -0.082 NA
BRANCH  27  31
ATOM     31  C   LIG    1       -5.750   0.973  -1.089  0.00  0.00    +0.422 C 
ATOM     32  F   LIG    1       -5.314   1.525  -2.247  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -7.093   1.194  -1.046  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -5.224   1.693  -0.067  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6