REMARK  Name = BDB046943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.982  -0.662   0.478  0.00  0.00    -0.023 A 
ATOM      2  C   LIG    1        1.665   0.237   1.310  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.860   0.810   0.840  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1        3.384   0.503  -0.418  0.00  0.00    +0.078 A 
ATOM      5  N   LIG    1        4.566   1.147  -0.745  0.00  0.00    -0.247 NA
ATOM      6  C   LIG    1        4.930   1.923   0.251  0.00  0.00    +0.157 A 
ATOM      7  C   LIG    1        2.691  -0.413  -1.233  0.00  0.00    +0.029 A 
ATOM      8  S   LIG    1        3.902   1.941   1.619  0.00  0.00    -0.075 S 
ATOM      9  C   LIG    1        1.499  -0.990  -0.777  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  16
ATOM     10  C   LIG    1       -3.597   1.183   0.120  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -3.308  -0.132  -0.594  0.00  0.00    +0.178 C 
ATOM     12  O   LIG    1       -3.738  -1.221   0.237  0.00  0.00    -0.458 OA
ATOM     13  C   LIG    1       -2.676  -1.738   0.917  0.00  0.00    +0.336 C 
ATOM     14  O   LIG    1       -2.735  -2.560   1.811  0.00  0.00    -0.245 OA
ATOM     15  C   LIG    1       -1.448  -1.129   0.359  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1       -0.261  -1.267   0.965  0.00  0.00    +0.018 C 
ATOM     17  C   LIG    1       -1.833  -0.368  -0.854  0.00  0.00    +0.086 C 
ENDBRANCH   1  16
TORSDOF 1