REMARK  Name = BDB003973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.646  -0.394   0.221  0.00  0.00    -0.230 N 
ATOM      2  C   LIG    1        1.747   0.362  -0.036  0.00  0.00    +0.126 C 
ATOM      3  C   LIG    1        2.991  -0.446   0.261  0.00  0.00    +0.142 C 
ATOM      4  C   LIG    1        4.039  -0.139  -0.791  0.00  0.00    +0.058 C 
ATOM      5  C   LIG    1        4.059   1.348  -1.024  0.00  0.00    -0.005 C 
ATOM      6  C   LIG    1        2.963   2.095  -0.807  0.00  0.00    +0.108 C 
ATOM      7  N   LIG    1        2.421  -1.757   0.290  0.00  0.00    -0.289 N 
ATOM      8  H   LIG    1        2.897  -2.608   0.554  0.00  0.00    +0.151 HD
ATOM      9  N   LIG    1        1.734   1.587  -0.456  0.00  0.00    -0.243 NA
ATOM     10  C   LIG    1        1.041  -1.692   0.394  0.00  0.00    +0.309 C 
ATOM     11  O   LIG    1        0.338  -2.668   0.601  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  14
ATOM     12  O   LIG    1       -0.309  -0.765  -2.280  0.00  0.00    -0.274 OA
ATOM     13  C   LIG    1       -1.131  -0.394  -1.437  0.00  0.00    +0.234 C 
ATOM     14  C   LIG    1       -0.735   0.030  -0.004  0.00  0.00    +0.170 C 
ATOM     15  C   LIG    1       -1.678  -0.502   1.077  0.00  0.00    +0.032 C 
ATOM     16  C   LIG    1       -2.897   0.393   1.299  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -3.578   0.890   0.026  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -3.639  -0.164  -1.067  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1       -2.427  -0.271  -1.855  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -2.530  -0.614  -2.804  0.00  0.00    +0.149 HD
ENDBRANCH   1  14
TORSDOF 1