REMARK  Name = BDB017260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.220  -0.424   1.482  0.00  0.00    +0.196 C 
ATOM      2  O   LIG    1       -0.756  -0.914   2.481  0.00  0.00    -0.289 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.250   0.051   0.413  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.516  -0.502   1.466  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.111  -0.477   1.468  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.429   0.116   0.385  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.021   0.142   0.380  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.282  -0.409   1.432  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        1.974  -0.992   2.504  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.176   0.669  -0.667  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.371  -1.027   2.522  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.575   0.637  -0.654  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.402   0.511  -0.489  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.608  -0.048   0.550  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.069   0.100   0.299  0.00  0.00    +0.141 C 
ATOM     16  C   LIG    1       -2.538   0.270   0.785  0.00  0.00    +0.127 C 
ATOM     17  N   LIG    1       -3.377   0.762  -0.330  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -3.434  -0.230  -1.412  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -2.035  -0.507  -1.967  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -1.048  -0.905  -0.866  0.00  0.00    +0.045 C 
BRANCH  15  21
ATOM     21  O   LIG    1       -0.638   1.379  -0.179  0.00  0.00    -0.379 OA
ATOM     22  H   LIG    1       -1.459   1.838  -0.454  0.00  0.00    +0.211 HD
ENDBRANCH  15  21
BRANCH  17  23
ATOM     23  C   LIG    1       -4.706   1.205   0.108  0.00  0.00    +0.088 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.590   0.136   0.680  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -6.532  -0.658  -0.191  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -7.079   0.369   0.759  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  15
TORSDOF 6