REMARK  Name = BDB047619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.009   2.658  -1.152  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.543   1.313  -0.648  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.455   0.616   0.019  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.548   0.821  -0.401  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.574  -0.764   0.292  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.800  -1.448   0.483  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.788  -2.835   0.739  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.601  -3.548   0.866  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.393  -2.880   0.750  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.100  -0.902   0.446  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.869  -1.557   0.532  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.573   0.366   0.376  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.797   0.532   0.380  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.355  -1.500   0.478  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.652   1.542   0.354  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.976  -0.864   0.384  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        1.804  -1.110  -0.729  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.065  -0.493  -0.806  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.136  -0.486  -1.726  0.00  0.00    +0.143 A 
ATOM     20  N   LIG    1        5.149   0.290  -1.335  0.00  0.00    -0.179 NA
ATOM     21  N   LIG    1        4.730   0.780  -0.151  0.00  0.00    -0.267 N 
ATOM     22  C   LIG    1        5.583   1.680   0.588  0.00  0.00    +0.173 C 
ATOM     23  C   LIG    1        3.479   0.350   0.221  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        2.682   0.616   1.341  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        1.429  -0.007   1.399  0.00  0.00    +0.010 A 
ENDBRANCH  14  16
TORSDOF 1