REMARK  Name = BDB017567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.641   0.548   2.461  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.936  -0.064   1.280  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -3.483  -0.145  -0.025  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.762  -0.893  -0.982  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -3.323  -1.165  -2.235  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -2.837  -1.752  -2.897  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.578  -0.785  -2.603  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -5.304   0.108  -1.668  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -6.620   0.655  -2.157  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -7.411   1.357  -1.052  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.490   2.245  -0.227  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -5.385   1.448   0.295  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.700   2.020   0.782  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -5.057  -1.132  -3.678  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -1.500  -1.435  -0.713  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -0.923  -1.274   0.545  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -4.771   0.464  -0.480  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -1.654  -0.602   1.531  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1        0.443  -1.849   0.855  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.419  -0.828   1.266  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        2.670  -1.445   1.762  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.801  -1.602   0.716  0.00  0.00    +0.120 C 
ATOM     23  N   LIG    1        4.127  -0.312   0.066  0.00  0.00    -0.326 N 
ATOM     24  C   LIG    1        3.112   0.746   0.222  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        1.698   0.127   0.164  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.475   0.011  -0.106  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        6.400  -0.838  -0.763  0.00  0.00    +0.063 A 
ATOM     28 CL   LIG    1        5.928  -2.327  -1.519  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1        7.752  -0.488  -0.905  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        8.221   0.725  -0.405  0.00  0.00    +0.053 A 
ATOM     31  C   LIG    1        7.332   1.590   0.228  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        5.983   1.236   0.367  0.00  0.00    +0.026 A 
BRANCH  30  33
ATOM     33  C   LIG    1        9.601   1.083  -0.550  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1       10.718   1.373  -0.664  0.00  0.00    -0.191 NA
ENDBRANCH  30  33
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 4