REMARK  Name = BDB005584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.632  -1.934   2.659  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        2.995  -1.389   1.762  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1        3.628  -0.427   0.821  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        5.093  -0.142   1.026  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1        5.725   0.583  -0.167  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1        4.809   1.691  -0.673  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1        3.498   1.131  -0.984  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        2.838   1.828  -1.316  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        2.915   0.178  -0.151  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1        1.484  -0.168  -0.326  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.890  -1.060   0.580  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -0.460  -1.413   0.482  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.251  -0.887  -0.546  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -0.661  -0.017  -1.472  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        0.689   0.335  -1.366  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        1.662  -1.629   1.598  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        1.252  -2.285   2.248  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1       -2.712  -1.265  -0.671  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.608  -0.110  -0.573  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1       -4.999  -0.473  -0.846  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -5.771   0.737  -0.345  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -4.886   1.353   0.732  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1       -3.633   0.490   0.763  0.00  0.00    +0.085 C 
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 2