REMARK  Name = BDB048244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.736   0.119  -0.153  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        2.525  -0.173   0.494  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        1.295   0.116  -0.141  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        1.331   0.691  -1.412  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1        0.031   0.874  -1.819  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -0.238   1.275  -2.706  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -0.849   0.445  -0.858  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -2.252   0.442  -0.841  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -3.238   0.879  -1.890  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -4.522   1.004  -1.058  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -4.408  -0.013   0.088  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.928  -0.067   0.278  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -2.202  -0.561   1.329  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -2.623  -1.160   2.593  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -3.770  -1.340   2.949  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -1.483  -1.468   3.265  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -1.470  -1.900   4.174  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -0.360  -1.139   2.568  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1        0.787  -1.308   2.928  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -0.810  -0.549   1.309  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        2.523   0.992  -2.079  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -0.084  -0.046   0.217  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        3.724   0.696  -1.427  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  25
ATOM     24  C   LIG    1        5.091  -0.793   1.853  0.00  0.00    +0.091 C 
ATOM     25  C   LIG    1        5.058  -0.169   0.482  0.00  0.00    +0.160 C 
ATOM     26  O   LIG    1        6.097   0.103  -0.117  0.00  0.00    -0.292 OA
ENDBRANCH   1  25
TORSDOF 1