REMARK  Name = BDB005639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.210  -0.191  -0.662  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1        1.646  -0.069   0.673  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.840  -0.650   1.670  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1        1.210  -0.554   3.016  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        0.638  -0.968   3.738  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        2.339   0.076   3.453  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1        3.205   0.694   2.418  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.457   1.381   2.900  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        5.114   2.260   1.828  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        5.086   1.576   0.466  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1        3.717   1.208   0.157  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        3.556   0.840  -0.783  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1        2.616   0.121   4.647  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.340  -1.336   1.359  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -0.748  -1.471   0.029  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        2.886   0.631   1.110  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.043  -0.903  -0.977  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1        1.970   0.331  -1.685  0.00  0.00    -0.492 OA
BRANCH  18  20
ATOM     19  C   LIG    1        2.241   2.164  -3.193  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        1.238   1.298  -2.451  0.00  0.00    +0.226 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH  15  21
ATOM     21  C   LIG    1       -2.014  -2.221  -0.326  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.022  -1.376  -0.987  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -4.113  -2.181  -1.560  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -5.372  -2.213  -0.698  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -5.934  -0.809  -0.478  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -4.847   0.264  -0.534  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -3.495  -0.298  -0.099  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  15  21
TORSDOF 4