REMARK  Name = BDB028816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.716   1.461   0.674  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.617   1.128   0.241  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.400   0.981  -1.106  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -4.198   1.141  -1.705  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -2.220   0.675  -1.750  0.00  0.00    +0.233 C 
ATOM      6  O   LIG    1       -2.205   0.632  -2.979  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -0.991   0.488  -0.851  0.00  0.00    +0.139 C 
ATOM      8  C   LIG    1       -1.440  -0.059   0.504  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -2.424   0.913   1.137  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        0.183  -0.675  -1.664  0.00  0.00    -0.092 S 
BRANCH  10  11
ATOM     11  C   LIG    1        1.629  -0.707  -0.588  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1        2.036   0.332   0.260  0.00  0.00    -0.134 N 
ATOM     13  O   LIG    1        1.390   1.422   0.396  0.00  0.00    -0.163 OA
ATOM     14  C   LIG    1        3.200   0.167   1.008  0.00  0.00    +0.134 A 
ATOM     15  C   LIG    1        3.974  -0.987   0.937  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        3.579  -2.011   0.092  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.419  -1.873  -0.668  0.00  0.00    +0.036 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2