REMARK  Name = BDB030315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.156  -0.698  -0.626  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.668  -1.369   0.281  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        1.973  -0.918   0.471  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        2.801  -1.591   1.395  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        2.450  -2.393   1.901  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        4.110  -1.247   1.676  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        4.638  -0.099   0.948  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        3.850   0.579   0.035  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        4.676   1.881  -0.686  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        6.099   1.555   0.207  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.945   0.471   1.044  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        4.770  -1.880   2.495  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        2.466   0.193  -0.249  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.634   0.837  -1.173  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        0.325   0.387  -1.367  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1       -1.641  -2.329  -1.308  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -1.528  -1.199  -0.839  0.00  0.00    +0.247 C 
ATOM     18  N   LIG    1       -2.603  -0.393  -0.486  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1       -2.501   0.972   0.048  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1       -3.664   1.319   0.996  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1       -4.984   1.040   0.411  0.00  0.00    -0.313 NA
ATOM     22  H   LIG    1       -5.706   1.221   1.109  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -5.052  -0.376   0.009  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1       -3.933  -0.771  -0.970  0.00  0.00    +0.123 C 
ENDBRANCH   1  17
TORSDOF 1