REMARK  Name = BDB028794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.783  -0.394  -0.444  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.021  -1.549  -0.257  0.00  0.00    +0.234 C 
ATOM      3  O   LIG    1        1.538  -2.670  -0.286  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1       -0.510  -1.415  -0.116  0.00  0.00    +0.201 C 
ATOM      5  N   LIG    1       -1.005  -0.056   0.221  0.00  0.00    -0.320 N 
ATOM      6  C   LIG    1       -0.256   1.027  -0.418  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1        1.216   0.890  -0.025  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1  11
ATOM      8  O   LIG    1        6.215   1.735  -0.742  0.00  0.00    -0.262 OA
ATOM      9  C   LIG    1        5.324   0.938  -0.505  0.00  0.00    +0.280 C 
ATOM     10  S   LIG    1        4.066   0.529  -1.644  0.00  0.00    -0.035 S 
ATOM     11  C   LIG    1        3.232  -0.564  -0.461  0.00  0.00    +0.230 C 
ATOM     12  C   LIG    1        3.925  -0.291   0.877  0.00  0.00    +0.251 C 
ATOM     13  O   LIG    1        3.484  -0.546   1.990  0.00  0.00    -0.272 OA
ATOM     14  N   LIG    1        5.132   0.314   0.681  0.00  0.00    -0.245 N 
ATOM     15  H   LIG    1        5.683   0.600   1.476  0.00  0.00    +0.158 HD
ENDBRANCH   1  11
BRANCH   5  16
ATOM     16  C   LIG    1       -2.408   0.034   0.252  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -3.141   0.940  -0.530  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -4.539   1.000  -0.465  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.237   0.159   0.395  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.536  -0.738   1.192  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.140  -0.794   1.121  0.00  0.00    +0.023 A 
ENDBRANCH   5  16
TORSDOF 2