REMARK  Name = BDB033447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.181  -2.799  -0.160  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.590  -1.503  -0.648  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.029  -0.527   0.222  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -1.500   0.643  -0.332  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -1.035   1.421   0.707  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1       -0.599   2.326   0.580  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -1.237   0.787   1.901  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -1.503   0.903  -1.706  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -2.053  -0.057  -2.552  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.847  -0.420   1.637  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -2.587  -1.235  -2.033  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1       -0.903   2.097  -2.213  0.00  0.00    -0.211 N 
ATOM     13  H   LIG    1       -1.468   2.533  -2.945  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        0.664   1.911  -2.861  0.00  0.00    +0.107 S 
ATOM     15  O   LIG    1        1.150   3.242  -3.152  0.00  0.00    -0.147 OA
ATOM     16  O   LIG    1        0.620   0.891  -3.888  0.00  0.00    -0.147 OA
BRANCH  14  17
ATOM     17  C   LIG    1        1.742   1.284  -1.607  0.00  0.00    +0.281 A 
ATOM     18  O   LIG    1        1.838   1.848  -0.347  0.00  0.00    -0.421 OA
ATOM     19  C   LIG    1        2.761   1.086   0.312  0.00  0.00    +0.201 A 
ATOM     20  N   LIG    1        3.256   0.097  -0.401  0.00  0.00    -0.219 NA
ATOM     21  C   LIG    1        2.619   0.216  -1.608  0.00  0.00    +0.182 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.179   1.370   1.786  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1        2.472   0.630   2.893  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        3.906   0.317   2.579  0.00  0.00    +0.013 C 
ENDBRANCH  19  22
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  25
ATOM     25  C   LIG    1       -2.219  -1.368   2.642  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1       -2.519  -2.135   3.459  0.00  0.00    -0.191 NA
ENDBRANCH  10  25
TORSDOF 5