REMARK  Name = BDB050295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.867  -0.237  -2.058  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.635  -0.483  -1.431  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.543   0.365  -1.648  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -0.690   1.478  -2.485  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.911   1.729  -3.111  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.995   0.876  -2.899  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.772   0.129  -0.980  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1        1.535   1.153  -0.726  0.00  0.00    -0.089 NA
ATOM      9  C   LIG    1        1.151  -1.294  -0.618  0.00  0.00    +0.069 C 
BRANCH   8  10
ATOM     10  O   LIG    1        2.714   0.764  -0.070  0.00  0.00    -0.389 OA
BRANCH  10  11
ATOM     11  C   LIG    1        3.488   1.930   0.217  0.00  0.00    +0.298 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.791   1.515   0.853  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        5.141   1.970   2.132  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        6.356   1.591   2.708  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        7.222   0.760   2.009  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1        6.895   0.298   0.738  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        5.681   0.677   0.162  0.00  0.00    +0.010 A 
BRANCH  15  18
ATOM     18  O   LIG    1        8.396   0.415   2.610  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        8.886  -0.173   2.012  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1       -4.053  -1.144  -1.801  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.730  -0.844  -0.454  0.00  0.00    +0.230 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.150  -1.419  -0.484  0.00  0.00    +0.334 C 
ATOM     23  O   LIG    1       -6.599  -2.331   0.192  0.00  0.00    -0.248 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -6.958  -0.773  -1.354  0.00  0.00    -0.479 OA
ATOM     25  H   LIG    1       -7.821  -1.230  -1.251  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
BRANCH  21  26
ATOM     26  O   LIG    1       -3.922  -1.420   0.580  0.00  0.00    -0.365 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -3.300  -1.567   2.876  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1       -4.207  -0.885   1.870  0.00  0.00    +0.157 C 
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 11