REMARK  Name = BDB045583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.915   0.376  -0.065  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.621  -0.094   0.191  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.349  -1.261   0.884  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.004  -1.470   0.973  0.00  0.00    -0.228 NA
ATOM      5  C   LIG    1        0.583  -0.449   0.359  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1       -2.413  -2.029   1.375  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.723  -1.582   1.154  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.381   0.403  -0.127  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1       -0.235   1.268  -0.631  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -3.970  -0.398   0.448  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        2.029  -0.243   0.208  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        2.913  -1.218   0.698  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.296  -1.064   0.576  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        4.808   0.070  -0.038  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1        3.958   1.054  -0.531  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        2.572   0.897  -0.408  0.00  0.00    +0.015 A 
BRANCH  14  17
ATOM     17  O   LIG    1        6.162   0.184  -0.138  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1        6.372   1.022  -0.580  0.00  0.00    +0.292 HD
ENDBRANCH  14  17
ENDBRANCH   5  11
BRANCH   1  22
ATOM     19  N   LIG    1       -4.343   1.963  -1.262  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -4.413   2.773  -1.865  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -5.114   1.313  -1.272  0.00  0.00    +0.145 HD
ATOM     22  C   LIG    1       -3.089   1.637  -0.829  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1       -2.128   2.353  -1.093  0.00  0.00    -0.270 OA
ENDBRANCH   1  22
TORSDOF 3