REMARK  Name = BDB031687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.224  -0.938   0.569  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.473  -1.353   1.671  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        0.899  -1.087   1.725  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.558  -0.415   0.681  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        0.792  -0.021  -0.421  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.584  -0.283  -0.486  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.073  -2.268   1.075  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.684  -1.234   0.545  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -3.464  -0.261  -0.054  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -3.000   0.597  -0.322  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -4.860  -0.285  -0.256  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -5.675  -1.375   0.054  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -7.052  -1.321  -0.183  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -7.626  -0.178  -0.735  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.822   0.913  -1.051  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -5.446   0.859  -0.814  0.00  0.00    +0.023 A 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   4  17
ATOM     17  N   LIG    1        2.933  -0.162   0.813  0.00  0.00    -0.299 N 
ATOM     18  H   LIG    1        3.364  -0.606   1.611  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.849   0.558   0.032  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        5.219   0.591   0.371  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1        6.055   1.335  -0.447  0.00  0.00    +0.143 A 
ATOM     22  N   LIG    1        7.330   1.243   0.041  0.00  0.00    -0.346 N 
ATOM     23  H   LIG    1        8.126   1.698  -0.382  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        7.341   0.453   1.162  0.00  0.00    +0.085 A 
ATOM     25  N   LIG    1        5.710   2.036  -1.534  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1        4.392   1.944  -1.770  0.00  0.00    +0.225 A 
ATOM     27  C   LIG    1        6.046   0.034   1.392  0.00  0.00    +0.032 A 
ATOM     28  N   LIG    1        3.467   1.263  -1.066  0.00  0.00    -0.220 NA
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 4