REMARK  Name = BDB035956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.414  -0.836  -0.685  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.737  -0.237  -0.128  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.085  -1.069   0.919  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.180  -0.860   1.770  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        2.976   0.287   1.543  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.641   1.132   0.482  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        3.250   2.420   0.056  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        2.583   2.579  -1.311  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.341   1.839  -1.317  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        0.196  -2.096   0.982  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.540   0.879  -0.337  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1       -0.749  -1.948  -0.022  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.103  -0.317  -1.770  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -0.859   0.616  -2.097  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -2.614  -0.834  -2.263  0.00  0.00    +0.081 S 
ATOM     16  O   LIG    1       -2.478  -2.219  -2.663  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -3.083   0.157  -3.215  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.618   0.519  -0.097  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -3.636  -0.680  -0.825  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -4.470  -1.720  -0.406  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -5.261  -1.567   0.740  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -5.200  -0.393   1.489  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -4.375   0.649   1.073  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -3.601   2.646  -0.990  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -2.817   1.566  -0.476  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
BRANCH  20  26
ATOM     26  O   LIG    1       -4.640  -2.856  -1.148  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -4.004  -3.977  -0.531  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  28
ATOM     28  C   LIG    1        4.154   0.571   2.444  0.00  0.00    +0.180 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.418   0.269   1.800  0.00  0.00    -0.248 N 
ATOM     30  N   LIG    1        6.322   1.239   1.551  0.00  0.00    -0.158 NA
ATOM     31  C   LIG    1        7.323   0.532   1.019  0.00  0.00    +0.245 A 
ATOM     32  N   LIG    1        7.105  -0.813   0.932  0.00  0.00    -0.223 NA
ATOM     33  C   LIG    1        5.901  -0.950   1.436  0.00  0.00    +0.219 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7