REMARK  Name = BDB005590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.649   0.344   1.091  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.456   0.547   0.374  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        0.699  -0.204   0.649  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        0.621  -1.193   1.642  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1        1.727  -2.007   1.900  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        1.676  -2.735   2.599  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        2.906  -1.922   1.216  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1        3.009  -0.859   0.181  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        4.323  -0.747  -0.546  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        4.231   0.133  -1.797  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1        3.423   1.393  -1.512  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1        2.112   1.021  -0.988  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1        1.539   1.827  -0.756  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1        3.840  -2.680   1.462  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -0.552  -1.402   2.370  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        1.982  -0.021  -0.071  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1       -1.680  -0.629   2.099  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1       -2.881   1.172   0.788  0.00  0.00    +0.119 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.872  -0.287  -0.881  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -4.055   0.361   0.420  0.00  0.00    -0.304 NA
ATOM     21  C   LIG    1       -5.254   1.199   0.393  0.00  0.00    +0.104 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 2