REMARK  Name = BDB045989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.666  -0.294  -0.903  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        1.455  -0.403   0.230  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        1.087  -0.292   1.385  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.841  -0.664  -0.212  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        2.810  -0.657  -1.619  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.951  -0.880  -2.373  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        5.144  -1.118  -1.700  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        5.177  -1.127  -0.294  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.021  -0.896   0.484  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        1.433  -0.386  -2.124  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -3.363   0.836  -0.474  0.00  0.00    -0.302 NA
ATOM     12  C   LIG    1       -2.376   1.675   0.200  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1       -1.004   1.499  -0.459  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -0.755   0.055  -0.925  0.00  0.00    +0.079 C 
ATOM     15  C   LIG    1       -1.616  -0.933  -0.135  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -3.105  -0.597  -0.287  0.00  0.00    +0.086 C 
BRANCH  11  18
ATOM     17  C   LIG    1       -5.174   1.235   1.266  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -4.753   1.212  -0.201  0.00  0.00    +0.081 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   9  19
ATOM     19  C   LIG    1        4.216  -0.936   1.962  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1        5.280  -1.320   2.442  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        3.221  -0.533   2.795  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        2.270  -0.336   2.486  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        3.365  -0.650   3.788  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 3