REMARK  Name = BDB031304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.247  -0.858   0.787  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1       -0.674  -0.073   0.115  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.310   0.601  -0.545  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.006  -1.825   1.498  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.083  -0.167   0.172  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -2.807   0.686  -0.679  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -4.181   0.609  -0.631  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1       -4.847  -0.266   0.221  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1       -6.213  -0.098   0.028  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -6.961  -0.585   0.494  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -6.411   0.888  -0.949  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1       -7.479   1.293  -1.371  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1       -4.174  -1.109   1.067  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1       -5.137   1.319  -1.349  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -4.984   2.028  -2.047  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -2.772  -1.050   1.037  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  20
ATOM     17  C   LIG    1        4.375   0.116   0.179  0.00  0.00    +0.105 A 
ATOM     18  C   LIG    1        3.431   1.147   0.193  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        2.080   0.844   0.389  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        1.676  -0.488   0.565  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.637  -1.510   0.576  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        3.987  -1.212   0.383  0.00  0.00    +0.029 A 
BRANCH  17  23
ATOM     23  S   LIG    1        6.096   0.489  -0.044  0.00  0.00    +0.056 S 
ATOM     24  O   LIG    1        6.262   1.923   0.007  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        6.865  -0.417   0.773  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  N   LIG    1        6.328   0.068  -1.657  0.00  0.00    -0.204 NA
ATOM     27  H   LIG    1        5.541  -0.428  -2.071  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1        6.581   0.904  -2.187  0.00  0.00    +0.144 HD
ENDBRANCH  23  26
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 4