REMARK  Name = BDB056874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.418   4.072   3.325  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.188   3.204   2.364  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.456   2.397   1.502  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.240   1.633   0.511  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.411   0.550  -0.087  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.762  -0.482  -0.993  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.315  -1.209  -1.328  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.333  -0.692  -0.608  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.942   0.386   0.134  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.737   1.254   1.037  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.984   2.589   1.228  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.419   3.219   2.371  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -2.067  -0.760  -1.582  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -3.151  -1.266  -0.822  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -4.375  -1.441  -1.504  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1       -5.471  -1.921  -0.801  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -5.398  -2.247   0.555  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.197  -2.096   1.233  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1       -4.532  -1.166  -2.810  0.00  0.00    -0.255 NA
ATOM     20  C   LIG    1       -3.467  -0.716  -3.503  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1       -3.081  -1.614   0.551  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.228  -0.497  -2.943  0.00  0.00    +0.030 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1        2.652  -1.293  -0.767  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        3.595  -0.406  -1.580  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        4.931  -1.107  -1.804  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1        5.280  -2.020  -0.763  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1        4.800  -1.631   0.517  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1        3.284  -1.754   0.554  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2