REMARK  Name = BDB052961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.719  -0.546   1.083  0.00  0.00    +0.249 C 
ATOM      2  N   LIG    1        0.277  -0.127   0.224  0.00  0.00    -0.265 N 
ATOM      3  H   LIG    1        0.028   0.175  -0.705  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.588  -1.078   2.179  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.621  -0.174   0.506  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1        2.151  -0.564   1.699  0.00  0.00    -0.213 NA
ATOM      7  C   LIG    1        3.453  -0.463   1.558  0.00  0.00    +0.140 A 
ATOM      8  N   LIG    1        3.790  -0.008   0.295  0.00  0.00    -0.303 N 
ATOM      9  C   LIG    1        5.100   0.195  -0.134  0.00  0.00    +0.119 A 
ATOM     10  C   LIG    1        6.144  -0.052   0.694  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        5.794  -0.539   2.046  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        4.522  -0.731   2.449  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1        2.611   0.182  -0.382  0.00  0.00    +0.136 A 
BRANCH  10  14
ATOM     14  N   LIG    1        7.493   0.139   0.304  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1        8.640  -0.075   1.051  0.00  0.00    +0.204 A 
ATOM     16  N   LIG    1        9.748   0.199   0.398  0.00  0.00    -0.244 NA
ATOM     17  C   LIG    1        9.338   0.611  -0.832  0.00  0.00    +0.130 A 
ATOM     18  C   LIG    1        7.968   0.585  -0.920  0.00  0.00    +0.112 A 
ENDBRANCH  10  14
ENDBRANCH   2   5
BRANCH   1  22
ATOM     19  C   LIG    1       -4.757  -0.064  -0.394  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -4.378  -1.174   0.381  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.069  -1.315   0.857  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -2.102  -0.354   0.561  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -2.458   0.768  -0.190  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -3.769   0.905  -0.662  0.00  0.00    +0.005 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -6.158   0.225  -2.469  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -6.188   0.124  -0.929  0.00  0.00    -0.013 C 
ATOM     27  C   LIG    1       -6.793   1.419  -0.346  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -7.148  -1.033  -0.568  0.00  0.00    +0.015 C 
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 4