REMARK  Name = BDB031315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.139   0.144  -0.634  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1       -2.079   0.990  -0.257  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.802   0.458  -0.183  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        0.485   1.114   0.184  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1        1.462   0.037   0.076  0.00  0.00    -0.263 N 
ATOM      6  C   LIG    1        0.852  -1.161  -0.316  0.00  0.00    +0.251 C 
ATOM      7  O   LIG    1        1.315  -2.269  -0.513  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.580  -0.881  -0.476  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.598  -1.740  -0.849  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.892  -1.217  -0.928  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        2.847   0.234   0.345  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        3.768  -0.821   0.234  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1        5.091  -0.554   0.511  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1        5.534   0.707   0.891  0.00  0.00    +0.067 A 
ATOM     15  N   LIG    1        6.907   0.639   1.094  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        7.524   1.383   1.375  0.00  0.00    +0.170 HD
ATOM     17  C   LIG    1        7.334  -0.673   0.841  0.00  0.00    +0.325 A 
ATOM     18  O   LIG    1        8.475  -1.092   0.920  0.00  0.00    -0.247 OA
ATOM     19  C   LIG    1        4.676   1.768   1.014  0.00  0.00    +0.029 A 
ATOM     20  N   LIG    1        6.193  -1.403   0.479  0.00  0.00    -0.306 N 
ATOM     21  H   LIG    1        6.200  -2.381   0.240  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1        3.322   1.519   0.737  0.00  0.00    +0.025 A 
ENDBRANCH   5  11
BRANCH   1  23
ATOM     23  C   LIG    1       -4.504   0.737  -0.706  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1       -4.737   1.908  -0.452  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.412  -0.197  -1.081  0.00  0.00    -0.461 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -7.460   0.162   0.160  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1       -6.769   0.258  -1.188  0.00  0.00    +0.229 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 4