REMARK  Name = BDB052917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.011   0.064   0.264  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        2.950   0.796   0.814  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        1.645   0.459   0.436  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.367  -0.572  -0.462  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -0.048  -0.632  -0.612  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -0.588   0.349   0.186  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1        2.442  -1.299  -1.005  0.00  0.00    +0.013 A 
ATOM      8  N   LIG    1        0.439   1.000   0.812  0.00  0.00    -0.353 N 
ATOM      9  H   LIG    1        0.307   1.768   1.456  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        3.756  -0.972  -0.635  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.081   0.714   0.393  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1       -3.215   0.105  -0.205  0.00  0.00    +0.117 A 
ATOM     13  C   LIG    1       -4.302   0.800   0.311  0.00  0.00    +0.085 A 
ATOM     14  C   LIG    1       -5.613   0.489  -0.045  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.754  -0.561  -0.949  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -4.622  -1.212  -1.424  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -3.764   1.738   1.147  0.00  0.00    -0.275 N 
ATOM     18  H   LIG    1       -4.260   2.427   1.699  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1       -3.347  -0.920  -1.087  0.00  0.00    -0.251 NA
ATOM     20  N   LIG    1       -2.419   1.715   1.221  0.00  0.00    -0.170 NA
ENDBRANCH   6  11
BRANCH   1  22
ATOM     21  C   LIG    1        6.369  -0.238   0.172  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        5.249   0.465   0.692  0.00  0.00    -0.495 OA
ENDBRANCH   1  22
TORSDOF 2