REMARK  Name = BDB040534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.210   0.891   1.644  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.282   0.801   1.446  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -0.983  -0.362   1.765  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.363  -0.459   1.533  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.101  -1.949   2.020  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.090   0.604   0.951  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.367   1.778   0.651  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.120   3.192  -0.008  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -0.989   1.869   0.887  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.586   0.512   0.656  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.970  -0.711  -0.174  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -4.260  -1.168  -1.069  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.211  -1.249   0.067  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.458  -2.050  -0.498  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.219  -0.728   0.838  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.336  -1.237   0.847  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.904   0.538   1.597  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.424   0.626   1.935  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.329   1.439  -0.500  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        1.900   0.517   0.433  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.119  -0.461   0.274  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.177   2.647  -0.322  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.322   2.017  -2.726  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        2.947   0.851  -1.785  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        1.900  -0.017  -2.509  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.165  -0.004  -1.439  0.00  0.00    +0.144 A 
ATOM     27  N   LIG    1        3.969  -1.105  -0.674  0.00  0.00    -0.230 NA
ATOM     28  C   LIG    1        5.058  -1.868  -0.385  0.00  0.00    +0.110 A 
ATOM     29  C   LIG    1        6.322  -1.556  -0.852  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        6.420  -0.427  -1.625  0.00  0.00    +0.115 A 
ATOM     31  N   LIG    1        5.368   0.352  -1.931  0.00  0.00    -0.239 NA
BRANCH  28  32
ATOM     32  C   LIG    1        4.886  -3.085   0.497  0.00  0.00    +0.390 C 
ATOM     33  F   LIG    1        5.679  -3.034   1.610  0.00  0.00    -0.202 F 
ATOM     34  F   LIG    1        5.224  -4.244  -0.141  0.00  0.00    -0.202 F 
ENDBRANCH  28  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6