REMARK  Name = BDB028767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.915   2.049   1.500  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.098   1.257   1.038  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.058   1.694   0.258  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -2.058   2.684   0.052  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.203   0.932  -0.502  0.00  0.00    +0.233 C 
ATOM      6  O   LIG    1       -0.495   1.461  -1.358  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -1.182  -0.564  -0.225  0.00  0.00    +0.138 C 
ATOM      8  C   LIG    1       -2.583  -1.034   0.165  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -3.165  -0.224   1.316  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        0.039  -0.931   1.098  0.00  0.00    -0.112 S 
BRANCH  10  11
ATOM     11  C   LIG    1        1.564  -0.562   0.253  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        1.980  -1.309  -0.854  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        3.186  -1.010  -1.493  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        3.982   0.031  -1.019  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        5.468   0.398  -1.804  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        3.583   0.772   0.091  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        2.377   0.471   0.730  0.00  0.00    +0.016 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2