REMARK  Name = BDB040572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.275  -1.241   2.462  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.517  -0.646   1.852  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        2.712  -1.366   1.802  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.857  -0.821   1.201  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        5.275  -1.815   1.257  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.840   0.461   0.610  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.628   1.181   0.686  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        2.460   2.791   0.067  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.489   0.633   1.291  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.065   1.068  -0.072  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        5.686   0.165  -1.135  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        5.024  -0.562  -1.874  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.048   0.258  -1.295  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        7.446  -0.334  -2.012  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.897   1.187  -0.752  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        9.069   1.263  -1.112  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.293   2.158   0.233  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        6.102   1.544   0.952  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.685  -0.984   0.977  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1       -0.609  -1.732   1.429  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.295  -2.530   0.895  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.973   0.087   1.508  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.446  -1.586  -0.223  0.00  0.00    +0.101 C 
ATOM     24  C   LIG    1       -1.493  -1.677  -1.434  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1       -2.926  -3.011   0.123  0.00  0.00    +0.029 C 
BRANCH  23  30
ATOM     26  C   LIG    1       -5.782   0.918  -1.120  0.00  0.00    +0.159 A 
ATOM     27  C   LIG    1       -5.869  -0.146  -0.236  0.00  0.00    +0.083 A 
ATOM     28  C   LIG    1       -7.156  -0.454   0.473  0.00  0.00    +0.069 C 
ATOM     29  N   LIG    1       -4.820  -0.958   0.047  0.00  0.00    -0.233 NA
ATOM     30  C   LIG    1       -3.643  -0.699  -0.560  0.00  0.00    +0.144 A 
ATOM     31  N   LIG    1       -3.471   0.299  -1.450  0.00  0.00    -0.236 NA
ATOM     32  C   LIG    1       -4.542   1.084  -1.700  0.00  0.00    +0.160 A 
BRANCH  26  34
ATOM     33  C   LIG    1       -6.752   2.795  -2.197  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -6.895   1.673  -1.334  0.00  0.00    -0.492 OA
ENDBRANCH  26  34
ENDBRANCH  23  30
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 6