REMARK  Name = BDB004084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.256  -0.369  -0.607  0.00  0.00    -0.230 N 
ATOM      2  C   LIG    1       -1.012  -0.147  -1.143  0.00  0.00    +0.232 C 
ATOM      3  O   LIG    1       -0.792   0.085  -2.326  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1        0.025  -0.251   0.001  0.00  0.00    +0.087 C 
ATOM      5  C   LIG    1        1.011   0.922   0.170  0.00  0.00    +0.123 C 
ATOM      6  N   LIG    1        2.008  -0.069   0.473  0.00  0.00    -0.328 N 
ATOM      7  C   LIG    1        1.293  -1.092  -0.238  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -0.801  -0.609   1.231  0.00  0.00    +0.115 C 
ATOM      9  C   LIG    1       -2.232  -0.560   0.751  0.00  0.00    +0.224 C 
ATOM     10  O   LIG    1       -3.203  -0.669   1.483  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -7.399   0.719  -0.292  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.255   0.410  -0.615  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.397   1.347  -1.122  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.744   2.290  -0.999  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.035   1.221  -1.053  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.324   2.187  -0.782  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.479  -0.169  -1.380  0.00  0.00    +0.170 C 
ATOM     18  C   LIG    1       -4.514  -1.291  -1.272  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.694  -0.969  -0.368  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        3.404   0.119   0.512  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        4.281  -0.958   0.312  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        5.668  -0.781   0.363  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        6.191   0.489   0.625  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1        5.337   1.575   0.839  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        3.952   1.382   0.785  0.00  0.00    +0.025 A 
BRANCH  23  26
ATOM     26  N   LIG    1        7.645   0.682   0.680  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1        8.067   1.823   0.919  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1        8.366  -0.307   0.486  0.00  0.00    -0.126 OA
ENDBRANCH  23  26
ENDBRANCH   6  20
TORSDOF 3