REMARK  Name = BDB033046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.466  -0.933   0.060  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        1.330  -0.227  -0.989  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        2.417  -1.149  -1.211  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        2.133  -2.421  -0.758  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        2.858  -3.400  -0.832  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.736  -2.417  -0.194  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.407   0.676   0.144  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -0.950  -0.616   0.002  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -1.621  -1.348   0.217  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -0.644   1.639   0.126  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -3.817  -0.150   0.559  0.00  0.00    +0.132 A 
ATOM     12  C   LIG    1       -2.886   0.880   0.307  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1       -3.340   2.210   0.198  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -4.695   2.531   0.333  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -5.159   3.949   0.178  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -5.609   1.502   0.557  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -5.175   0.178   0.674  0.00  0.00    +0.046 A 
BRANCH  11  19
ATOM     18  C   LIG    1       -4.264  -2.457   1.030  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -3.338  -1.431   0.681  0.00  0.00    -0.494 OA
ENDBRANCH  11  19
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        3.647  -0.768  -1.872  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.591  -0.069  -0.925  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1        5.316  -0.810   0.022  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        6.179  -0.173   0.920  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        7.034  -1.159   2.053  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        6.320   1.218   0.880  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1        7.365   2.076   1.956  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        5.597   1.963  -0.056  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        4.736   1.324  -0.952  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5