REMARK  Name = BDB007826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.410  -0.643   0.077  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        0.867   0.473  -0.425  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -0.477   0.608  -0.388  0.00  0.00    +0.240 A 
ATOM      4  O   LIG    1       -0.914   1.804  -0.886  0.00  0.00    -0.460 OA
ATOM      5  C   LIG    1       -2.132   2.253  -0.298  0.00  0.00    +0.183 C 
ATOM      6  C   LIG    1       -3.235   1.174  -0.221  0.00  0.00    +0.268 C 
ATOM      7  N   LIG    1       -2.764  -0.114   0.083  0.00  0.00    -0.232 N 
ATOM      8  O   LIG    1       -4.425   1.465  -0.366  0.00  0.00    -0.271 OA
ATOM      9  C   LIG    1       -2.618   3.404  -1.191  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -1.864   2.809   1.110  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -1.355  -0.353   0.108  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1       -0.764  -1.487   0.670  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        0.625  -1.639   0.647  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -3.686  -1.198   0.241  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1       -3.480  -2.435  -0.391  0.00  0.00    +0.044 A 
ATOM     16  C   LIG    1       -4.399  -3.474  -0.232  0.00  0.00    +0.043 A 
ATOM     17 CL   LIG    1       -4.116  -4.986  -1.005  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1       -5.542  -3.299   0.542  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -5.774  -2.070   1.154  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -4.856  -1.027   0.998  0.00  0.00    +0.024 A 
ENDBRANCH   7  14
BRANCH   1  22
ATOM     21  C   LIG    1        3.731   0.017  -0.483  0.00  0.00    +0.235 C 
ATOM     22  N   LIG    1        2.797  -0.842   0.075  0.00  0.00    -0.269 N 
ATOM     23  H   LIG    1        3.131  -1.703   0.478  0.00  0.00    +0.156 HD
ATOM     24  O   LIG    1        3.487   1.034  -1.127  0.00  0.00    -0.274 OA
BRANCH  21  25
ATOM     25  C   LIG    1        5.195  -0.478  -0.281  0.00  0.00    +0.137 C 
ATOM     26  C   LIG    1        5.543  -0.702   1.191  0.00  0.00    +0.034 C 
BRANCH  25  28
ATOM     27  C   LIG    1        6.447   1.653  -0.279  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1        6.156   0.408  -0.985  0.00  0.00    -0.309 NA
ATOM     29  H   LIG    1        5.713   0.667  -1.873  0.00  0.00    +0.122 HD
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH   1  22
TORSDOF 4