REMARK  Name = BDB036837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.700   0.333   0.783  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1       -0.633  -0.038   1.025  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.241  -1.246   0.472  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1        1.234   1.260   1.398  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.453   0.905   1.815  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -2.724   0.313   2.443  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.702  -0.477   3.386  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.914   0.601   1.815  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.729   0.139   2.194  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.096   1.229   0.610  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.188   1.206   0.049  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -2.885   1.877  -0.014  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -1.816   2.170   1.024  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  17
ATOM     14  C   LIG    1        5.143  -1.207  -0.926  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        3.656  -1.094  -1.069  0.00  0.00    -0.047 A 
ATOM     16  C   LIG    1        2.890  -0.479  -0.076  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        1.514  -0.371  -0.261  0.00  0.00    +0.126 A 
ATOM     18  N   LIG    1        0.873  -0.800  -1.381  0.00  0.00    -0.250 NA
ATOM     19  C   LIG    1        1.639  -1.374  -2.332  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1        3.012  -1.540  -2.225  0.00  0.00    +0.023 A 
ENDBRANCH   1  17
TORSDOF 2