REMARK  Name = BDB056195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.021   0.483  -0.059  0.00  0.00    +0.050 A 
ATOM      2  N   LIG    1       -0.348   1.757  -0.405  0.00  0.00    -0.322 N 
ATOM      3  H   LIG    1        0.364   2.437  -0.642  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -1.646   2.204  -0.464  0.00  0.00    +0.257 A 
ATOM      5  O   LIG    1       -1.916   3.355  -0.790  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -2.701   1.220  -0.111  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.332  -0.082   0.281  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.341  -0.993   0.659  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -4.686  -0.610   0.517  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -5.038   0.681   0.120  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -4.044   1.605  -0.182  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -0.901  -0.434   0.271  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        5.672  -0.767  -0.179  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        4.201  -0.472  -0.152  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        3.482  -0.560   1.045  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        2.119  -0.255   1.077  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        1.454   0.152  -0.086  0.00  0.00    -0.002 A 
ATOM     18  C   LIG    1        2.179   0.256  -1.280  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.542  -0.050  -1.312  0.00  0.00    +0.004 A 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  N   LIG    1       -3.069  -2.338   0.977  0.00  0.00    -0.357 N 
ATOM     21  H   LIG    1       -2.179  -2.479   1.442  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -3.824  -2.798   1.478  0.00  0.00    +0.142 HD
ENDBRANCH   8  20
TORSDOF 2