REMARK  Name = BDB040551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.773  -0.694   2.234  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.523  -0.907   1.498  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.109   0.134   0.773  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.300  -0.055   0.052  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        2.894   1.358  -0.747  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        2.946  -1.308   0.020  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.346  -2.343   0.778  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        3.040  -3.929   0.905  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.155  -2.148   1.494  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        4.237  -1.599  -0.749  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        4.370  -0.939  -2.114  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        3.561  -1.131  -3.020  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        5.442  -0.100  -2.301  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        5.504   0.328  -3.215  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        6.239   0.466  -1.339  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        7.023   1.370  -1.617  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        6.046  -0.023   0.075  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.507  -1.441   0.098  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -2.461   0.435   0.829  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -1.889  -0.724   1.315  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.093  -1.608   0.870  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.089   1.542   1.217  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -4.630  -0.759   0.239  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -3.567   0.248  -0.241  0.00  0.00    +0.087 C 
ATOM     25  C   LIG    1       -2.885  -0.321  -1.505  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.244   1.576  -0.546  0.00  0.00    +0.106 A 
ATOM     27  C   LIG    1       -4.763   2.548   0.298  0.00  0.00    +0.231 A 
ATOM     28  O   LIG    1       -5.288   3.546  -0.490  0.00  0.00    -0.438 OA
ATOM     29  C   LIG    1       -5.073   3.120  -1.759  0.00  0.00    +0.308 A 
ATOM     30  N   LIG    1       -4.479   1.955  -1.858  0.00  0.00    -0.220 NA
BRANCH  27  31
ATOM     31  C   LIG    1       -4.872   2.722   1.763  0.00  0.00    +0.452 C 
ATOM     32  F   LIG    1       -4.010   3.649   2.250  0.00  0.00    -0.163 F 
ATOM     33  F   LIG    1       -6.120   3.131   2.123  0.00  0.00    -0.163 F 
ATOM     34  F   LIG    1       -4.652   1.567   2.446  0.00  0.00    -0.163 F 
ENDBRANCH  27  31
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6