REMARK  Name = BDB058850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.456   1.122  -0.634  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.557   1.883  -1.327  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1        2.764   2.197  -1.597  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.917   1.283  -0.790  0.00  0.00    +0.259 C 
ATOM      5  N   LIG    1        1.853   0.726  -0.099  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1        1.913  -0.252   0.193  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1        4.258   0.692  -0.543  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        4.560  -0.002   0.636  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        5.838  -0.532   0.812  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1        6.210  -1.385   2.260  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        6.818  -0.375  -0.167  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        6.524   0.327  -1.335  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        5.248   0.863  -1.521  0.00  0.00    +0.013 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1       -0.371  -0.177  -1.386  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -0.370   0.083  -2.808  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.171  -1.401  -0.830  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -2.011   0.050  -0.760  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1       -2.333  -0.441   0.509  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -3.633  -0.289   1.014  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -4.614   0.358   0.224  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -5.914   0.509   0.732  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -6.244   0.029   2.001  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.279  -0.607   2.777  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.271   0.833  -1.054  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -3.982  -0.766   2.287  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -2.975   0.678  -1.549  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4