REMARK  Name = BDB050253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.304  -0.913   3.152  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -4.833  -0.963   0.915  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1       -4.830  -0.983   2.314  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.622  -0.966   3.015  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.401  -0.933   2.337  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.400  -0.913   0.944  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.609  -0.929   0.237  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -6.135  -0.965   0.151  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.511   0.392  -0.462  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -6.900   1.355   0.663  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1       -7.995   1.472   1.189  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -5.875   2.141   1.057  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1       -6.250   2.678   1.786  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1       -7.582   0.142  -1.382  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -9.009   0.886  -3.142  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -7.894   1.274  -2.191  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       -0.004  -0.994   2.558  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.520   0.409   2.198  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.850   0.501   1.579  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.919  -0.077   2.398  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        4.304   0.295   1.835  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        4.381   0.132   0.335  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1        3.259  -0.034  -0.389  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1        1.881  -0.029   0.211  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.705   0.135  -0.310  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        5.979   1.017  -1.362  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        7.237   1.026  -1.972  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        8.242   0.157  -1.546  0.00  0.00    +0.120 A 
ATOM     29  C   LIG    1        7.978  -0.725  -0.499  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        6.717  -0.734   0.115  0.00  0.00    +0.012 A 
BRANCH  28  31
ATOM     31  O   LIG    1        9.423   0.268  -2.227  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1       10.481  -0.591  -1.822  0.00  0.00    +0.277 C 
ENDBRANCH  28  31
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12