REMARK  Name = BDB017693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.166  -0.700   2.869  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        5.490  -0.617   1.847  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1        6.036  -0.043   0.588  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        7.428   0.529   0.640  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1        7.668   1.551  -0.475  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1        7.182   1.014  -1.816  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1        5.799   0.569  -1.710  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        5.127   1.153  -2.201  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        5.294   0.019  -0.536  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1        3.905  -0.496  -0.521  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        3.386  -1.001   0.679  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        2.079  -1.490   0.757  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        1.257  -1.493  -0.378  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1        1.774  -1.012  -1.587  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.084  -0.523  -1.657  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        4.191  -1.037   1.822  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        3.834  -1.418   2.687  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1       -0.157  -2.032  -0.299  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -0.988  -1.335   0.694  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.284  -2.020   0.891  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1       -3.476  -1.458   0.082  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1       -3.668  -0.021   0.341  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1       -2.502   0.708   0.864  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -1.192   0.087   0.324  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.925   0.560   0.262  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1       -5.938   0.001  -0.543  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1       -7.212   0.598  -0.626  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -7.464   1.754   0.096  0.00  0.00    +0.066 A 
ATOM     29  N   LIG    1       -8.763   2.083  -0.187  0.00  0.00    -0.277 N 
ATOM     30  H   LIG    1       -9.292   2.872   0.165  0.00  0.00    +0.189 HD
ATOM     31  N   LIG    1       -9.371   1.236  -1.038  0.00  0.00    -0.181 NA
ATOM     32  C   LIG    1       -6.505   2.356   0.906  0.00  0.00    +0.029 A 
ATOM     33  C   LIG    1       -8.422   0.334  -1.304  0.00  0.00    +0.142 A 
ATOM     34  C   LIG    1       -5.245   1.736   0.966  0.00  0.00    +0.025 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 3