REMARK  Name = BDB005588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.840   2.369  -2.203  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        3.265   1.647  -1.393  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1        3.976   0.562  -0.665  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        5.413   0.313  -1.035  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1        5.859  -1.107  -0.673  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1        5.431  -1.465   0.745  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1        4.002  -1.233   0.913  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        3.443  -2.078   1.000  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        3.342  -0.208   0.242  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1        1.907   0.030   0.525  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        1.236   1.030  -0.193  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -0.120   1.293   0.021  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.840   0.559   0.974  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -0.172  -0.424   1.714  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        1.186  -0.683   1.493  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        1.933   1.797  -1.131  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        1.463   2.533  -1.640  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1       -2.306   0.851   1.219  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.139   0.720   0.013  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1       -3.142  -0.662  -0.499  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -4.328  -0.937  -1.421  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -5.655  -0.778  -0.681  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -5.552   0.205   0.485  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -4.489   1.268   0.224  0.00  0.00    +0.085 C 
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 2