REMARK  Name = BDB004080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.173  -0.318  -0.664  0.00  0.00    -0.271 N 
ATOM      2  C   LIG    1        0.486   0.784  -1.192  0.00  0.00    +0.221 C 
ATOM      3  O   LIG    1        0.898   1.936  -1.304  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -0.930   0.462  -1.644  0.00  0.00    +0.112 C 
ATOM      5  C   LIG    1       -1.696  -0.346  -0.575  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1       -1.868   0.571   0.652  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1       -1.069   0.593   1.585  0.00  0.00    -0.275 OA
ATOM      8  N   LIG    1       -2.881   1.486   0.610  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1       -2.605   2.209   1.273  0.00  0.00    +0.157 HD
ATOM     10  C   LIG    1       -4.082   1.079   1.118  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -4.535   1.619   2.127  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.877   0.039   0.359  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -4.092  -1.168  -0.136  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -3.053  -0.770  -1.181  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1       -0.882  -1.607  -0.163  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1        0.520  -1.618  -0.767  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        5.123  -0.032   0.968  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.267  -1.063   1.343  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        2.968  -1.147   0.820  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        2.501  -0.225  -0.130  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1        3.391   0.777  -0.535  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        4.691   0.856  -0.013  0.00  0.00    +0.024 A 
BRANCH  17  23
ATOM     23  N   LIG    1        6.453  -0.021   1.400  0.00  0.00    -0.358 N 
ATOM     24  H   LIG    1        6.590  -0.452   2.308  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1        6.889   0.894   1.341  0.00  0.00    +0.142 HD
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 2