REMARK  Name = BDB037919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.699   0.382  -1.604  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.814   0.602  -0.796  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1       -4.739   1.698   0.011  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.428   2.434  -0.007  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.635   1.745   0.804  0.00  0.00    +0.229 C 
ATOM      6  O   LIG    1       -3.387   2.675   1.558  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.814   0.450   0.536  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1       -2.401  -0.394   1.757  0.00  0.00    +0.126 C 
ATOM      9  N   LIG    1       -1.111  -0.576   1.082  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        0.048  -0.950   1.750  0.00  0.00    +0.253 C 
ATOM     11  O   LIG    1       -0.018  -1.415   2.888  0.00  0.00    -0.269 OA
ATOM     12  C   LIG    1       -1.305   0.615   0.252  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -3.621  -0.289  -0.537  0.00  0.00    +0.115 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        1.296  -0.773   1.022  0.00  0.00    +0.075 A 
ATOM     15  S   LIG    1        2.732  -0.473   1.898  0.00  0.00    -0.084 S 
ATOM     16  C   LIG    1        3.690  -0.380   0.472  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.921  -0.601  -0.672  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1        3.568  -0.570  -1.931  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        4.941  -0.318  -2.014  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.684  -0.097  -0.863  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.073  -0.126   0.393  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        1.546  -0.836  -0.335  0.00  0.00    +0.029 A 
ENDBRANCH  10  14
TORSDOF 1