REMARK  Name = BDB018145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.875   0.228  -1.423  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -0.714  -1.246  -1.055  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -1.933  -2.082  -1.451  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1       -2.876  -1.940  -0.241  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1       -2.050  -1.526   0.890  0.00  0.00    -0.344 OA
ATOM      6  C   LIG    1       -0.682  -1.524   0.455  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -4.017  -1.036  -0.285  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -4.476  -0.260  -1.324  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1       -5.620   0.406  -0.895  0.00  0.00    +0.056 A 
ATOM     10  C   LIG    1       -6.204   1.241  -1.837  0.00  0.00    +0.142 A 
ATOM     11  N   LIG    1       -5.705   1.396  -3.070  0.00  0.00    -0.223 NA
ATOM     12  C   LIG    1       -4.600   0.693  -3.351  0.00  0.00    +0.225 A 
ATOM     13 CL   LIG    1       -7.604   2.105  -1.419  0.00  0.00    -0.061 Cl
ATOM     14  C   LIG    1       -5.861   0.013   0.445  0.00  0.00    +0.032 A 
ATOM     15  N   LIG    1       -3.924  -0.146  -2.545  0.00  0.00    -0.218 NA
ATOM     16  C   LIG    1       -4.870  -0.875   0.795  0.00  0.00    +0.091 A 
ENDBRANCH   4   7
BRANCH   3  17
ATOM     17  O   LIG    1       -1.510  -3.465  -1.563  0.00  0.00    -0.384 OA
ATOM     18  H   LIG    1       -0.637  -3.417  -2.009  0.00  0.00    +0.210 HD
ENDBRANCH   3  17
BRANCH   2  19
ATOM     19  O   LIG    1        0.455  -1.751  -1.717  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1        1.223  -1.322  -1.289  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   6  21
ATOM     21  C   LIG    1        0.153  -0.554   1.290  0.00  0.00    +0.263 C 
BRANCH  21  22
ATOM     22  O   LIG    1        1.485  -0.535   0.772  0.00  0.00    -0.489 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.381   0.292   1.393  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        3.670   0.271   0.848  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        4.693   1.071   1.373  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        4.412   1.892   2.464  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        3.128   1.917   3.014  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.113   1.120   2.481  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  N   LIG    1        5.963   0.981   0.769  0.00  0.00    -0.270 N 
ATOM     30  H   LIG    1        6.045   0.378  -0.035  0.00  0.00    +0.156 HD
ATOM     31  C   LIG    1        7.067   1.747   1.029  0.00  0.00    +0.301 C 
ATOM     32  O   LIG    1        7.173   2.703   1.781  0.00  0.00    -0.253 OA
ATOM     33  N   LIG    1        8.149   1.331   0.308  0.00  0.00    -0.313 N 
ATOM     34  H   LIG    1        8.988   1.839   0.566  0.00  0.00    +0.146 HD
ATOM     35  H   LIG    1        8.291   0.332   0.254  0.00  0.00    +0.146 HD
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 7