REMARK  Name = BDB006151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.073   0.630  -0.507  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.347   1.965   0.106  0.00  0.00    -0.254 N 
ATOM      3  C   LIG    1       -0.173   2.659   0.479  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.065   3.703   1.103  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.896   1.857  -0.074  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        2.213   1.985  -0.165  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.578   0.866  -0.849  0.00  0.00    -0.265 N 
ATOM      8  C   LIG    1        1.502   0.062  -1.221  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.409   0.689  -0.661  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.901  -1.687  -1.294  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.235  -1.604   0.052  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.382  -0.538   0.433  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -0.843  -0.563   1.744  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -1.128  -1.595   2.640  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.969  -2.625   2.252  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -2.333  -3.898   3.350  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.524  -2.630   0.975  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.642   2.320   0.558  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1       -3.763   2.303  -0.298  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1       -3.666   2.113  -1.786  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1       -5.039   2.554   0.241  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -5.199   2.872   1.589  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -4.081   2.954   2.410  0.00  0.00    +0.043 A 
ATOM     24 CL   LIG    1       -4.272   3.362   4.071  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -2.811   2.689   1.902  0.00  0.00    +0.043 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        1.640  -1.174  -2.068  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        1.166  -2.429  -1.341  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        0.903  -1.004  -3.398  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        3.988   0.708  -1.164  0.00  0.00    +0.175 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.767  -0.163  -0.182  0.00  0.00    +0.140 C 
ATOM     31  O   LIG    1        4.410  -1.556  -0.291  0.00  0.00    -0.375 OA
ATOM     32  C   LIG    1        4.471  -2.137   1.023  0.00  0.00    +0.160 C 
ATOM     33  C   LIG    1        5.093  -1.102   1.938  0.00  0.00    +0.031 C 
ATOM     34  C   LIG    1        4.651   0.190   1.293  0.00  0.00    +0.035 C 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 5