REMARK  Name = BDB028787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.495   2.011   0.979  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.479   1.455   0.577  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.446   2.174   0.030  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -2.594   3.171  -0.048  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.244   1.702  -0.443  0.00  0.00    +0.233 C 
ATOM      6  O   LIG    1       -0.409   2.482  -0.903  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -1.002   0.202  -0.296  0.00  0.00    +0.138 C 
ATOM      8  C   LIG    1       -2.327  -0.552  -0.369  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -3.263  -0.033   0.713  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        0.083  -0.380  -1.658  0.00  0.00    -0.109 S 
BRANCH  10  11
ATOM     11  C   LIG    1        1.582  -0.690  -0.741  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        2.403   0.330  -0.246  0.00  0.00    +0.130 A 
ATOM     13  C   LIG    1        3.561   0.027   0.470  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.917  -1.302   0.691  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.116  -2.327   0.192  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.956  -2.022  -0.524  0.00  0.00    +0.018 A 
BRANCH  12  17
ATOM     17  O   LIG    1        2.143   1.659  -0.426  0.00  0.00    -0.506 OA
ATOM     18  H   LIG    1        1.336   1.772  -0.971  0.00  0.00    +0.292 HD
ENDBRANCH  12  17
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 3