REMARK  Name = BDB048548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.607   0.718   0.062  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -1.366  -0.469  -0.061  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.762  -0.378  -0.063  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.392   0.866   0.045  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.648   2.051   0.166  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -1.245   1.956   0.174  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -0.679  -1.704  -0.168  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -0.901  -2.374  -1.470  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -0.385  -3.830  -1.422  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -1.023  -4.681  -0.393  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -1.998  -5.600  -0.973  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -1.645  -3.869   0.677  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -0.859  -2.583   1.016  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   5  14
ATOM     14  C   LIG    1       -3.322   3.359   0.280  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -2.954   4.438  -0.542  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -3.593   5.676  -0.438  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.612   5.860   0.493  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.991   4.806   1.320  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.351   3.568   1.214  0.00  0.00    +0.008 A 
ENDBRANCH   5  14
BRANCH   1  21
ATOM     20  C   LIG    1        1.778   1.496   0.154  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1        0.792   0.544   0.068  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        1.047  -0.441   0.014  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        1.628   2.712   0.189  0.00  0.00    -0.270 OA
BRANCH  20  28
ATOM     24  C   LIG    1        5.534  -1.615   1.663  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        4.970  -0.514   0.809  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.635  -0.082   0.921  0.00  0.00    +0.059 A 
ATOM     27 CL   LIG    1        2.611  -0.825   2.110  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        3.167   0.968   0.112  0.00  0.00    +0.057 A 
ATOM     29  C   LIG    1        4.036   1.604  -0.792  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        5.348   1.162  -0.949  0.00  0.00    +0.061 A 
ATOM     31  C   LIG    1        5.804   0.132  -0.115  0.00  0.00    +0.148 A 
ATOM     32  F   LIG    1        7.087  -0.254  -0.224  0.00  0.00    -0.203 F 
BRANCH  30  33
ATOM     33  N   LIG    1        6.238   1.876  -1.763  0.00  0.00    -0.356 N 
ATOM     34  H   LIG    1        5.817   2.343  -2.560  0.00  0.00    +0.142 HD
ATOM     35  H   LIG    1        7.076   1.349  -2.002  0.00  0.00    +0.142 HD
ENDBRANCH  30  33
ENDBRANCH  20  28
ENDBRANCH   1  21
TORSDOF 5