REMARK  Name = BDB003076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.266   1.222   0.428  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        2.797   0.964   0.261  0.00  0.00    -0.048 A 
ATOM      3  C   LIG    1        2.282  -0.329   0.427  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.918  -0.564   0.246  0.00  0.00    +0.076 A 
ATOM      5  N   LIG    1        0.416  -1.859   0.382  0.00  0.00    -0.280 N 
ATOM      6  H   LIG    1        1.034  -2.651   0.498  0.00  0.00    +0.155 HD
ATOM      7  C   LIG    1       -0.925  -2.120   0.275  0.00  0.00    +0.259 C 
ATOM      8  C   LIG    1       -1.813  -0.866   0.267  0.00  0.00    +0.269 C 
ATOM      9  O   LIG    1       -1.271   0.297  -0.371  0.00  0.00    -0.477 OA
ATOM     10  O   LIG    1       -1.347  -3.272   0.273  0.00  0.00    -0.271 OA
ATOM     11  C   LIG    1        0.064   0.479  -0.119  0.00  0.00    +0.143 A 
ATOM     12  C   LIG    1        0.574   1.759  -0.315  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        1.936   2.001  -0.123  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1       -3.149  -1.161  -0.405  0.00  0.00    +0.174 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.181  -0.168   0.051  0.00  0.00    +0.309 C 
ATOM     16  O   LIG    1       -5.192  -0.469   0.667  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -3.904   1.108  -0.302  0.00  0.00    -0.481 OA
ATOM     18  H   LIG    1       -3.036   1.205  -0.749  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   8  14
TORSDOF 3