REMARK  Name = BDB058336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.644  -2.758   0.345  0.00  0.00    +0.073 S 
ATOM      2  O   LIG    1       -1.572  -3.192   1.367  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.207  -3.677  -0.685  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.325  -1.304  -0.453  0.00  0.00    +0.116 A 
ATOM      5  C   LIG    1       -1.869  -0.212   0.289  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.318   0.928  -0.439  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.838   2.033   0.280  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.930   2.039   1.670  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.509   0.932   2.383  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.231   0.922  -1.855  0.00  0.00    +0.049 A 
ATOM     11 CL   LIG    1       -2.754   2.265  -2.823  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -1.715  -0.170  -2.551  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -1.990  -0.172   1.705  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -1.262  -1.280  -1.854  0.00  0.00    +0.031 A 
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  N   LIG    1        0.726  -2.160   1.139  0.00  0.00    -0.216 N 
ATOM     16  H   LIG    1        0.535  -1.895   2.103  0.00  0.00    +0.174 HD
BRANCH  15  19
ATOM     17  C   LIG    1        2.739   0.747   0.005  0.00  0.00    +0.061 A 
ATOM     18  C   LIG    1        1.847  -0.043   0.741  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        1.671  -1.387   0.406  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        2.388  -1.946  -0.652  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.280  -1.162  -1.385  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        3.454   0.183  -1.059  0.00  0.00    +0.015 A 
BRANCH  17  24
ATOM     23  O   LIG    1        3.694   2.936  -0.285  0.00  0.00    -0.245 OA
ATOM     24  C   LIG    1        2.951   2.181   0.313  0.00  0.00    +0.337 C 
BRANCH  24  25
ATOM     25  O   LIG    1        2.220   2.602   1.360  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        2.451   3.551   1.441  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  17  24
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 5