REMARK  Name = BDB003369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.121  -1.185   0.684  0.00  0.00    +0.111 A 
ATOM      2  C   LIG    1        0.155  -0.598   0.411  0.00  0.00    +0.085 A 
ATOM      3  C   LIG    1        0.595   0.748   0.111  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1        2.056   0.916  -0.178  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        2.960  -0.161  -0.090  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        2.493  -1.526   0.293  0.00  0.00    +0.229 C 
ATOM      7  O   LIG    1        3.292  -2.449   0.393  0.00  0.00    -0.283 OA
ATOM      8  C   LIG    1        4.320   0.043  -0.361  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        4.778   1.312  -0.718  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.885   2.381  -0.806  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        2.529   2.187  -0.536  0.00  0.00    +0.012 A 
ATOM     12  O   LIG    1       -0.145   1.722   0.114  0.00  0.00    -0.286 OA
ATOM     13  C   LIG    1        1.075  -1.618   0.508  0.00  0.00    +0.187 A 
ATOM     14  O   LIG    1        0.479  -2.782   0.859  0.00  0.00    -0.455 OA
ATOM     15  C   LIG    1       -0.853  -2.517   0.980  0.00  0.00    +0.118 A 
ATOM     16  C   LIG    1       -1.707  -3.664   1.364  0.00  0.00    +0.087 C 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -2.456  -0.610   0.685  0.00  0.00    +0.343 C 
ATOM     18  O   LIG    1       -3.397  -1.103   1.296  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -2.553   0.492  -0.104  0.00  0.00    -0.461 OA
BRANCH  19  21
ATOM     20  C   LIG    1       -3.768   2.341  -0.999  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1       -3.844   1.108  -0.120  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3