REMARK  Name = BDB017660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.001  -2.002   0.164  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1  14
ATOM      2  O   LIG    1       -6.088   0.894  -2.357  0.00  0.00    -0.268 OA
ATOM      3  C   LIG    1       -5.459   0.520  -1.371  0.00  0.00    +0.254 A 
ATOM      4  C   LIG    1       -6.003   0.657   0.007  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -7.372   1.272   0.136  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -7.703   1.675   1.576  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -7.274   0.588   2.554  0.00  0.00    +0.102 C 
ATOM      8  N   LIG    1       -5.857   0.295   2.363  0.00  0.00    -0.343 N 
ATOM      9  H   LIG    1       -5.521  -0.441   2.978  0.00  0.00    +0.146 HD
ATOM     10  C   LIG    1       -5.311   0.229   1.082  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -3.951  -0.333   0.896  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.457  -0.479  -0.408  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -2.191  -1.019  -0.651  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -1.367  -1.402   0.416  0.00  0.00    -0.031 A 
ATOM     15  C   LIG    1       -1.845  -1.244   1.723  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -3.118  -0.709   1.959  0.00  0.00    +0.012 A 
ATOM     17  N   LIG    1       -4.230  -0.061  -1.495  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -3.875  -0.145  -2.437  0.00  0.00    +0.169 HD
ENDBRANCH   1  14
BRANCH   1  19
ATOM     19  N   LIG    1        0.816  -1.222  -0.779  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        1.262   0.074  -0.221  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        2.696   0.102   0.359  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        3.689  -0.352  -0.632  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        3.175  -1.192  -1.727  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        1.968  -2.027  -1.243  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.991   0.119  -0.615  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1        5.804   0.108  -1.758  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        7.127   0.579  -1.741  0.00  0.00    +0.054 A 
ATOM     28 CL   LIG    1        8.013   0.513  -3.223  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1        7.692   1.080  -0.567  0.00  0.00    +0.073 A 
ATOM     30  C   LIG    1        6.895   1.095   0.585  0.00  0.00    +0.015 A 
ATOM     31  C   LIG    1        5.576   0.623   0.555  0.00  0.00    +0.024 A 
BRANCH  29  32
ATOM     32  C   LIG    1        9.105   1.589  -0.520  0.00  0.00    +0.419 C 
ATOM     33  F   LIG    1        9.325   2.640  -1.356  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        9.470   2.035   0.719  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       10.027   0.640  -0.842  0.00  0.00    -0.166 F 
ENDBRANCH  29  32
ENDBRANCH  22  25
ENDBRANCH   1  19
TORSDOF 4