REMARK  Name = BDB002829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.049  -0.114   0.768  0.00  0.00    +0.102 C 
ATOM      2  C   LIG    1       -1.147   0.681   0.271  0.00  0.00    +0.127 C 
ATOM      3  N   LIG    1       -2.246  -0.258   0.297  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -1.770  -1.575   0.287  0.00  0.00    +0.221 C 
ATOM      5  O   LIG    1       -2.388  -2.627   0.237  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.262  -1.528   0.309  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.605   0.151   0.199  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -3.934   1.504   0.008  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -5.267   1.923  -0.085  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -6.298   0.997   0.011  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.996  -0.347   0.200  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.662  -0.764   0.293  0.00  0.00    +0.023 A 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     13  O   LIG    1        1.399   1.442  -0.459  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        1.357   0.419   0.216  0.00  0.00    +0.222 C 
ATOM     15  N   LIG    1        2.442  -0.345   0.603  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        2.272  -1.135   1.219  0.00  0.00    +0.155 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.807  -0.158   0.273  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        4.752  -1.053   0.812  0.00  0.00    +0.062 A 
ATOM     19 CL   LIG    1        4.257  -2.347   1.853  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1        6.114  -0.926   0.524  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        6.551   0.101  -0.309  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.628   0.992  -0.850  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.264   0.865  -0.562  0.00  0.00    +0.025 A 
ENDBRANCH  15  17
ENDBRANCH   1  14
TORSDOF 3