REMARK  Name = BDB051442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.147   0.670   0.940  0.00  0.00    +0.136 A 
ATOM      2  S   LIG    1       -1.063   0.703   2.147  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1       -2.206   0.090   1.014  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.571  -0.089  -0.217  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -2.317  -0.585  -1.305  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -3.668  -0.885  -1.125  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -4.287  -0.702   0.108  0.00  0.00    +0.021 A 
ATOM      8 CL   LIG    1       -4.583  -1.491  -2.452  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.565  -0.210   1.201  0.00  0.00    +0.018 A 
ATOM     10  N   LIG    1       -0.228   0.252  -0.245  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1  11
ATOM     11  S   LIG    1        1.789   1.190   1.256  0.00  0.00    -0.084 S 
BRANCH  11  13
ATOM     12  C   LIG    1        2.870  -1.029   0.028  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1        2.674   0.470  -0.184  0.00  0.00    +0.158 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.025   1.157  -0.375  0.00  0.00    +0.318 C 
ATOM     15  O   LIG    1        4.992   0.628  -0.908  0.00  0.00    -0.250 OA
BRANCH  14  16
ATOM     16  O   LIG    1        4.071   2.450   0.028  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        3.240   2.724   0.466  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 4