REMARK  Name = BDB029504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.534  -0.162  -0.267  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -1.427   0.897   0.186  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -2.827   0.322  -0.093  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -3.849   1.422  -0.308  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -3.567   2.610  -0.423  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -5.157   1.008  -0.364  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -5.817   1.762  -0.505  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -5.670  -0.008   0.400  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.857  -0.020   0.716  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.715  -1.105   0.806  0.00  0.00    +0.097 C 
ATOM     11  C   LIG    1       -3.316  -0.563   1.066  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1       -2.580  -0.458  -1.395  0.00  0.00    +0.036 C 
ATOM     13  C   LIG    1       -1.181  -1.053  -1.222  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        3.629  -0.161  -0.025  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        2.881  -1.092  -0.735  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1        1.527  -1.098  -0.823  0.00  0.00    -0.238 NA
ATOM     17  C   LIG    1        0.834  -0.132  -0.183  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        1.513   0.835   0.555  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1        2.912   0.824   0.633  0.00  0.00    +0.028 A 
BRANCH  14  22
ATOM     20  C   LIG    1        7.366   0.116   0.414  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        5.936   0.544   0.634  0.00  0.00    +0.214 C 
ATOM     22  N   LIG    1        5.035  -0.275  -0.021  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        5.421  -1.048  -0.549  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        5.672   1.505   1.347  0.00  0.00    -0.276 OA
ENDBRANCH  14  22
ENDBRANCH   1  17
TORSDOF 2