REMARK  Name = BDB029403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.708   0.240   0.185  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1       -1.942   0.681  -0.903  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -2.525   1.445  -2.057  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -0.567   0.385  -0.909  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        0.023  -0.327   0.140  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.832  -0.710   1.165  0.00  0.00    +0.121 A 
ATOM      7  N   LIG    1       -2.158  -0.446   1.202  0.00  0.00    -0.239 NA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        1.457  -0.652   0.155  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1        2.424   0.354  -0.042  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.764   0.009  -0.021  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        4.981   0.868  -0.194  0.00  0.00    +0.133 C 
ATOM     12  C   LIG    1        6.117  -0.153  -0.056  0.00  0.00    +0.222 C 
ATOM     13  N   LIG    1        5.538  -1.396   0.167  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1        6.080  -2.237   0.294  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        7.313   0.074  -0.129  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.156  -1.309   0.190  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        3.250  -2.326   0.387  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        1.893  -1.986   0.367  0.00  0.00    +0.010 A 
ENDBRANCH   5   8
BRANCH   1  21
ATOM     19  C   LIG    1       -6.369   0.619   0.917  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1       -4.962   0.156   1.214  0.00  0.00    +0.215 C 
ATOM     21  N   LIG    1       -4.084   0.519   0.210  0.00  0.00    -0.270 N 
ATOM     22  H   LIG    1       -4.462   1.033  -0.569  0.00  0.00    +0.156 HD
ATOM     23  O   LIG    1       -4.717  -0.441   2.255  0.00  0.00    -0.276 OA
ENDBRANCH   1  21
TORSDOF 2