REMARK  Name = BDB059600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.941   0.280  -1.857  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1       -0.721   1.595  -2.420  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.907  -0.625  -2.444  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -1.536  -0.638   0.672  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -1.371   0.481  -0.149  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1       -1.563   1.771   0.359  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -1.902   1.932   1.701  0.00  0.00    +0.015 A 
ATOM      8  I   LIG    1       -2.180   3.841   2.473  0.00  0.00    -0.044 I 
ATOM      9  C   LIG    1       -2.047   0.822   2.534  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -1.856  -0.464   2.021  0.00  0.00    +0.048 A 
BRANCH   4  12
ATOM     11  C   LIG    1       -2.450  -2.703   0.183  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -1.269  -1.893   0.191  0.00  0.00    -0.493 OA
ENDBRANCH   4  12
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  N   LIG    1        0.530  -0.536  -1.811  0.00  0.00    -0.213 N 
ATOM     14  H   LIG    1        0.443  -1.545  -1.921  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.623  -0.017  -1.057  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1        2.154  -0.767   0.001  0.00  0.00    +0.139 A 
ATOM     17  C   LIG    1        3.248  -0.305   0.726  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        3.809   0.931   0.410  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        3.275   1.687  -0.634  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1        3.974   3.212  -1.021  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        2.187   1.218  -1.372  0.00  0.00    +0.048 A 
BRANCH  16  22
ATOM     22  O   LIG    1        1.624  -1.971   0.377  0.00  0.00    -0.505 OA
ATOM     23  H   LIG    1        0.676  -1.972   0.146  0.00  0.00    +0.292 HD
ENDBRANCH  16  22
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5