REMARK  Name = BDB013704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.018   0.343   0.052  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -2.228   1.187   0.244  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -3.467   0.559   0.244  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -4.643   1.308   0.399  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -4.572   2.690   0.569  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.330   3.322   0.596  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.538  -0.905   0.108  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -4.636  -1.455   0.065  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -2.323  -1.575   0.053  0.00  0.00    -0.230 N 
ATOM     10  C   LIG    1       -2.301  -3.018  -0.085  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -2.159   2.575   0.438  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1       -1.104  -0.956  -0.019  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.218   0.956  -0.065  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1        0.212   1.882  -0.475  0.00  0.00    +0.148 HD
BRANCH  13  18
ATOM     15  C   LIG    1        3.158  -2.423  -0.019  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1        3.261  -1.199   0.773  0.00  0.00    -0.304 NA
ATOM     17  C   LIG    1        1.951  -0.532   0.918  0.00  0.00    +0.106 C 
ATOM     18  C   LIG    1        1.440   0.197  -0.352  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        2.521   1.162  -0.860  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1        3.858   0.448  -1.032  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1        4.274  -0.277   0.249  0.00  0.00    +0.084 C 
ENDBRANCH  13  18
ENDBRANCH   1  13
TORSDOF 2