REMARK  Name = BDB033045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.163   1.062  -1.452  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        1.156   0.077  -0.834  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.760   0.847   0.230  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.678   2.208  -0.017  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        2.217   3.095   0.625  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.848   2.414  -1.261  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.022  -0.004  -0.983  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -1.132   1.026  -0.781  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -1.282   1.594   0.051  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -1.827  -0.878  -1.824  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -6.441  -2.119  -0.039  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.416  -1.078   0.303  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -4.231  -0.980  -0.441  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.246  -0.031  -0.120  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1       -3.459   0.816   0.978  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -4.631   0.716   1.734  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -5.601  -0.230   1.399  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -2.522   1.749   1.343  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -2.847   2.234   2.123  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        2.652   0.261   1.209  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.979  -0.137   0.609  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1        4.954   0.836   0.338  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        6.178   0.480  -0.238  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        7.324   1.738  -0.539  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        6.436  -0.859  -0.551  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1        7.922  -1.376  -1.264  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        5.468  -1.832  -0.289  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        4.246  -1.474   0.286  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5