REMARK  Name = BDB050280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.092   0.281  -1.552  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -0.962  -0.189  -0.866  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.305   0.355  -1.116  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        0.446   1.368  -2.070  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.675   1.836  -2.760  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.936   1.297  -2.501  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.469  -0.165  -0.362  0.00  0.00    +0.091 C 
ATOM      8  C   LIG    1        2.827   0.438  -0.487  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1        3.444  -0.172   0.753  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        2.705  -1.388   0.955  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1        1.403  -1.187   0.433  0.00  0.00    -0.088 NA
BRANCH   9  12
ATOM     12  C   LIG    1        4.928  -0.412   0.604  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        5.835   0.606   0.938  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        7.209   0.414   0.782  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.693  -0.795   0.287  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.804  -1.812  -0.054  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.430  -1.622   0.101  0.00  0.00    +0.007 A 
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1       -3.455  -0.303  -1.268  0.00  0.00    +0.078 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.035   0.061   0.106  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.422   1.543   0.110  0.00  0.00    +0.334 C 
ATOM     21  O   LIG    1       -5.498   2.028  -0.202  0.00  0.00    -0.248 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -3.423   2.347   0.531  0.00  0.00    -0.479 OA
ATOM     23  H   LIG    1       -3.805   3.248   0.476  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  24
ATOM     24  O   LIG    1       -5.160  -0.804   0.315  0.00  0.00    -0.365 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -6.815  -1.727   1.763  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1       -5.643  -0.772   1.657  0.00  0.00    +0.157 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8