REMARK  Name = BDB028757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.694   1.650   0.501  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.606   1.097   0.370  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.664   1.151   1.366  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -2.945   1.636   2.207  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.462   0.486   1.435  0.00  0.00    +0.233 C 
ATOM      6  O   LIG    1       -0.798   0.515   2.470  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -1.007  -0.248   0.182  0.00  0.00    +0.138 C 
ATOM      8  C   LIG    1       -2.220  -0.748  -0.603  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -3.221   0.362  -0.890  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        0.027   0.885  -0.828  0.00  0.00    -0.112 S 
BRANCH  10  11
ATOM     11  C   LIG    1        1.649   0.232  -0.482  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        2.196   0.274   0.804  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        3.472  -0.241   1.044  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.211  -0.793  -0.000  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        3.678  -0.825  -1.288  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        2.402  -0.310  -1.528  0.00  0.00    +0.015 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2