REMARK  Name = BDB004110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.852  -0.978   2.290  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1        0.860   0.425   2.312  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -0.167   1.086   1.670  0.00  0.00    +0.157 A 
ATOM      4  O   LIG    1       -0.282   2.462   1.571  0.00  0.00    -0.407 OA
ATOM      5  C   LIG    1       -1.444   2.611   0.807  0.00  0.00    +0.422 A 
ATOM      6  N   LIG    1       -2.013   1.386   0.509  0.00  0.00    -0.262 N 
ATOM      7  O   LIG    1       -1.884   3.702   0.468  0.00  0.00    -0.223 OA
ATOM      8  C   LIG    1       -1.186   0.411   1.029  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -1.221  -0.965   0.978  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -0.189  -1.661   1.619  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.201   1.215  -0.308  0.00  0.00    +0.180 C 
ATOM     12  C   LIG    1       -2.866   0.634  -1.695  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1       -1.774   0.171  -2.012  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -3.859   0.746  -2.639  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.431   0.687  -3.559  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.880  -0.159  -2.699  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -5.147  -0.684  -3.781  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.594  -0.585  -1.438  0.00  0.00    +0.096 C 
ATOM     19  C   LIG    1       -5.635   0.446  -0.322  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -4.319   0.498   0.449  0.00  0.00    +0.035 C 
ENDBRANCH   6  11
BRANCH   1  21
ATOM     21  C   LIG    1        1.981  -1.752   2.932  0.00  0.00    +0.046 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.027  -2.209   1.919  0.00  0.00    +0.125 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.762  -1.030   1.333  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1        4.358  -0.200   2.006  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1        3.648  -1.035  -0.020  0.00  0.00    -0.459 OA
BRANCH  25  27
ATOM     26  C   LIG    1        3.528   1.379  -0.482  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        4.199   0.043  -0.819  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1        3.853  -0.329  -2.269  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        5.724   0.116  -0.682  0.00  0.00    +0.055 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6