REMARK  Name = BDB046082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.455  -0.774  -0.419  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.224  -0.783  -0.398  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -3.478   0.498  -0.485  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.119   0.643  -0.126  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.540   1.913  -0.198  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.239   3.050  -0.617  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -3.579   2.893  -0.970  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.235   1.793   0.215  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.424   2.557   0.275  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        0.056   0.490   0.534  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -1.096  -0.251   0.329  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -1.262  -1.722   0.513  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -2.200  -2.319  -0.531  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -4.190   1.643  -0.900  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.595  -1.997  -0.296  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -4.258  -2.763  -0.308  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        1.383   0.093   1.005  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        2.490  -0.043   0.122  0.00  0.00    -0.009 A 
ATOM     19  C   LIG    1        3.748  -0.406   0.665  0.00  0.00    -0.017 A 
ATOM     20  C   LIG    1        4.863  -0.542  -0.179  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.754  -0.332  -1.553  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.527   0.014  -2.103  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        3.875  -0.631   2.045  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        2.779  -0.506   2.896  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.410   0.156  -1.278  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        1.540  -0.146   2.378  0.00  0.00    +0.010 A 
ENDBRANCH  10  17
TORSDOF 1