REMARK  Name = BDB037107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.247  -1.414  -1.085  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1       -0.396  -1.908  -1.703  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        1.263  -0.748  -1.787  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1        1.266  -0.760  -3.008  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.364  -0.107  -1.024  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.982   1.022  -1.575  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        4.020   1.673  -0.891  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        4.454   1.186   0.359  0.00  0.00    -0.009 A 
ATOM      9  C   LIG    1        3.838   0.036   0.890  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        2.805  -0.607   0.205  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        4.590   2.848  -1.491  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1        5.007   3.825  -1.960  0.00  0.00    -0.191 NA
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.588   1.828   1.129  0.00  0.00    +0.179 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.840   1.113   0.918  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        7.476   1.200  -0.267  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        8.564   0.445  -0.100  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        8.630  -0.122   1.185  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        7.500   0.332   1.825  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -0.533  -0.780   0.258  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -0.280   0.646   0.282  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -0.215  -1.611   1.399  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.731  -2.246  -0.529  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -2.255  -1.010  -0.100  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.134   0.073   0.067  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -4.507  -0.057  -0.204  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -4.958  -1.313  -0.656  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -4.084  -2.391  -0.825  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.503   1.105  -0.033  0.00  0.00    -0.013 C 
ATOM     29  C   LIG    1       -6.163   1.425  -1.392  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -6.596   0.708   0.982  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -4.858   2.412   0.481  0.00  0.00    +0.015 C 
ENDBRANCH  25  28
BRANCH  22  33
ATOM     32  C   LIG    1       -2.096  -4.358   0.158  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -1.867  -3.281  -0.756  0.00  0.00    -0.493 OA
ENDBRANCH  22  33
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8