REMARK  Name = BDB025281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.076   0.429  -0.139  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -0.875   1.365   0.499  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -2.201   1.006   0.260  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -3.225   1.800   0.801  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.835   2.895   1.552  0.00  0.00    +0.111 A 
ATOM      6  N   LIG    1       -1.554   3.241   1.790  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1       -2.193  -0.178  -0.536  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.218  -0.989  -1.072  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -2.889  -2.119  -1.825  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.558  -2.448  -2.050  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -0.525  -1.662  -1.530  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -0.561   2.488   1.265  0.00  0.00    +0.137 A 
ATOM     13  C   LIG    1       -0.860  -0.525  -0.771  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        5.139  -1.221  -0.686  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.002  -0.804  -0.491  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.228  -0.342  -1.526  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.672  -0.343  -2.435  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        2.050   0.366  -1.442  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        1.634   0.973  -2.426  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        1.390   0.417  -0.071  0.00  0.00    +0.174 C 
ATOM     21  C   LIG    1        1.894  -0.701   0.846  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.413  -0.683   0.893  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
TORSDOF 1