REMARK  Name = BDB040533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.766   1.968  -2.936  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.371   1.512  -2.056  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -0.829   0.193  -2.113  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.821  -0.266  -1.236  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.242  -1.939  -1.385  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -2.401   0.588  -0.272  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.909   1.909  -0.213  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -2.446   3.053   0.972  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -0.915   2.362  -1.092  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -3.485   0.117   0.696  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.670  -0.560   0.012  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -5.138  -0.175  -1.058  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -5.267  -1.590   0.700  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.059  -2.019   0.241  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -5.089  -1.930   2.016  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -5.838  -2.728   2.572  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -3.997  -1.200   2.759  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -2.895  -0.747   1.816  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.655   0.441  -2.539  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        2.021   1.649  -2.294  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.149   2.030  -1.360  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.378  -0.248  -3.519  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        4.821   1.105  -1.421  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        3.715   0.036  -1.495  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        4.375  -1.290  -1.926  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.011  -0.108  -0.146  0.00  0.00    +0.143 A 
ATOM     27  N   LIG    1        2.737  -1.341   0.323  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1        2.019  -1.425   1.460  0.00  0.00    +0.123 A 
ATOM     29  C   LIG    1        1.564  -0.330   2.157  0.00  0.00    +0.054 A 
ATOM     30  C   LIG    1        1.903   0.887   1.614  0.00  0.00    +0.123 A 
ATOM     31  N   LIG    1        2.612   1.028   0.474  0.00  0.00    -0.239 NA
BRANCH  29  32
ATOM     32  C   LIG    1        0.802  -0.457   3.426  0.00  0.00    +0.374 C 
ATOM     33  F   LIG    1        0.019   0.628   3.683  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -0.044  -1.524   3.428  0.00  0.00    -0.204 F 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6