REMARK  Name = BDB003381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.710  -0.523  -0.380  0.00  0.00    +0.058 C 
ATOM      2  C   LIG    1       -0.550  -1.241  -0.037  0.00  0.00    +0.194 C 
ATOM      3  O   LIG    1       -0.554  -2.395   0.380  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1       -1.826  -0.528  -0.208  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.858   0.709  -0.837  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -3.082   1.372  -1.013  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -4.266   0.793  -0.553  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.233  -0.449   0.078  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.618   1.321  -1.338  0.00  0.00    +0.228 C 
ATOM     10  O   LIG    1       -0.685   2.313  -2.058  0.00  0.00    -0.283 OA
ATOM     11  C   LIG    1       -3.016  -1.111   0.249  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.683   0.699  -0.953  0.00  0.00    +0.177 C 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        1.943  -1.174  -0.073  0.00  0.00    +0.058 C 
BRANCH  13  16
ATOM     14  C   LIG    1        5.508  -2.483  -0.477  0.00  0.00    +0.026 C 
ATOM     15  C   LIG    1        4.537  -2.062   0.673  0.00  0.00    -0.048 C 
ATOM     16  C   LIG    1        3.336  -1.712   0.320  0.00  0.00    -0.030 C 
ATOM     17  C   LIG    1        4.670  -2.925   1.966  0.00  0.00    +0.026 C 
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH  12  18
ATOM     18  O   LIG    1        1.807   1.424  -1.333  0.00  0.00    -0.461 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.615   1.665  -0.298  0.00  0.00    +0.319 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.568   1.848   0.918  0.00  0.00    +0.408 C 
ATOM     21  O   LIG    1        3.405   2.895   1.603  0.00  0.00    -0.241 OA
ATOM     22  O   LIG    1        4.381   0.894   1.111  0.00  0.00    -0.241 OA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  12  18
TORSDOF 5