REMARK  Name = BDB050525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.963  -3.260   3.279  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.625  -2.571   3.211  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.458  -1.593   2.239  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.161  -0.890   2.256  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.951  -0.122   0.999  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.800   0.539   0.488  0.00  0.00    +0.152 A 
ATOM      7  N   LIG    1       -1.061   1.055  -0.721  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.342   0.741  -0.985  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.920   0.037   0.029  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.287  -0.538   0.108  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.588  -0.911   1.574  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.727  -2.886   3.994  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.410   0.621   1.125  0.00  0.00    -0.283 N 
ATOM     14  C   LIG    1        1.685   0.423   0.523  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        2.880   0.803   1.167  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1        4.129   0.564   0.563  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        4.225  -0.031  -0.701  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.044  -0.408  -1.351  0.00  0.00    +0.051 A 
ATOM     19 CL   LIG    1        3.039  -1.200  -2.892  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        2.861   1.451   2.527  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        1.500   2.048   2.823  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        1.802  -0.184  -0.742  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        0.428   1.007   2.543  0.00  0.00    +0.113 C 
BRANCH  17  24
ATOM     24  C   LIG    1        5.545  -0.235  -1.262  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        6.000   0.327  -2.436  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        7.291  -0.090  -2.579  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        8.185   0.215  -3.668  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.726  -0.853  -1.558  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.658  -0.942  -0.759  0.00  0.00    +0.143 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -2.889   1.158  -2.264  0.00  0.00    +0.135 C 
ATOM     31  C   LIG    1       -4.139   2.019  -2.142  0.00  0.00    +0.186 C 
ATOM     32  O   LIG    1       -5.214   1.270  -2.733  0.00  0.00    -0.378 OA
ATOM     33  C   LIG    1       -4.622   0.437  -3.735  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -3.289   0.002  -3.168  0.00  0.00    +0.057 C 
ENDBRANCH   8  30
TORSDOF 3