REMARK  Name = BDB056471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.086  -0.210  -0.497  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1       -0.133  -0.723  -1.754  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        0.629  -1.027  -2.340  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1       -1.382  -0.961  -2.266  0.00  0.00    +0.259 A 
ATOM      5  O   LIG    1       -1.543  -1.457  -3.376  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -2.510  -0.594  -1.396  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1       -2.210  -0.074  -0.132  0.00  0.00    +0.081 A 
ATOM      8  C   LIG    1       -3.272   0.282   0.720  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -4.598   0.108   0.287  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -4.875  -0.414  -0.978  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.996   0.846   2.086  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1       -3.829  -0.768  -1.825  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1       -0.883   0.100   0.305  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  18
ATOM     14  C   LIG    1        5.573   0.455   1.259  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        4.160   0.258   0.792  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1        3.136   0.022   1.716  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        1.815  -0.127   1.284  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.503  -0.041  -0.077  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        2.520   0.224  -1.002  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        3.841   0.374  -0.566  0.00  0.00    +0.004 A 
ENDBRANCH   1  18
TORSDOF 1