REMARK  Name = BDB050923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.470  -0.260  -0.287  0.00  0.00    +0.145 A 
ATOM      2  C   LIG    1        0.415  -1.067   0.203  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1       -0.909  -0.553   0.279  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -1.172   0.742  -0.235  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -2.489   1.247  -0.189  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -3.535   0.509   0.364  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.282  -0.750   0.888  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.107   1.494  -0.768  0.00  0.00    +0.128 A 
ATOM      9  C   LIG    1       -1.988  -1.272   0.848  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.201   1.010  -0.789  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   2  11
ATOM     11  N   LIG    1        0.747  -2.332   0.765  0.00  0.00    -0.355 N 
ATOM     12  H   LIG    1        1.679  -2.609   0.456  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1        0.051  -3.041   0.560  0.00  0.00    +0.142 HD
ENDBRANCH   2  11
BRANCH   1  15
ATOM     14  C   LIG    1        3.832   0.008  -0.468  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        2.715  -0.849  -0.271  0.00  0.00    -0.493 OA
ENDBRANCH   1  15
BRANCH   8  16
ATOM     16  O   LIG    1       -0.364   2.746  -1.272  0.00  0.00    -0.506 OA
ATOM     17  H   LIG    1        0.463   3.140  -1.591  0.00  0.00    +0.292 HD
ENDBRANCH   8  16
TORSDOF 3