REMARK  Name = BDB050256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.304   1.069  -1.719  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        5.089   1.748  -0.085  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        4.907   1.096  -1.309  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.621   0.892  -1.814  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.499   1.332  -1.110  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.675   1.983   0.111  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.963   2.187   0.622  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        6.480   1.949   0.480  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.992   0.699   1.212  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        8.181   1.076   2.100  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        8.541   2.199   2.418  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        8.836   0.004   2.600  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        9.570   0.395   3.117  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        7.383  -0.270   0.230  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        7.433  -2.530  -0.527  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        6.948  -1.588   0.556  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        0.117   1.463  -1.029  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.121   1.076  -1.863  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.292  -0.367  -2.135  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -1.399  -1.202  -0.929  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1       -2.664  -0.937  -0.090  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -3.895  -0.762  -0.949  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1       -3.781  -0.634  -2.285  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -2.458  -0.608  -3.002  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.217  -0.759  -0.296  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1       -5.595  -1.789   0.573  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -6.847  -1.774   1.197  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.747  -0.729   0.961  0.00  0.00    -0.048 A 
ATOM     29  C   LIG    1       -7.370   0.306   0.098  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.119   0.288  -0.525  0.00  0.00    +0.008 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -9.089  -0.704   1.646  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1       -9.028   0.017   2.984  0.00  0.00    +0.009 C 
ENDBRANCH  28  31
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12