REMARK  Name = BDB016549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.529  -0.803  -0.085  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        1.600  -0.870   0.812  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        2.886  -0.412   0.432  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        3.063   0.099  -0.873  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1        4.327   0.554  -1.267  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        5.375   0.494  -0.365  0.00  0.00    +0.113 A 
ATOM      7  N   LIG    1        5.256   0.019   0.888  0.00  0.00    -0.243 NA
ATOM      8  C   LIG    1        1.975   0.143  -1.763  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        4.030  -0.419   1.254  0.00  0.00    +0.137 A 
ATOM     10 CL   LIG    1        4.004  -0.998   2.879  0.00  0.00    -0.061 Cl
ATOM     11  C   LIG    1        0.713  -0.308  -1.375  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  12
ATOM     12  S   LIG    1       -1.068  -1.407   0.405  0.00  0.00    +0.059 S 
ATOM     13  O   LIG    1       -0.875  -2.356   1.479  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1       -1.801  -1.754  -0.793  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  N   LIG    1       -1.725  -0.013   1.122  0.00  0.00    -0.184 NA
ATOM     16  H   LIG    1       -1.722  -0.155   2.134  0.00  0.00    +0.149 HD
BRANCH  15  18
ATOM     17  C   LIG    1       -2.942   1.258  -0.655  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1       -3.038   0.444   0.611  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -4.278  -0.385   0.847  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1       -4.078   0.883   1.621  0.00  0.00    +0.025 C 
ENDBRANCH  15  18
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 3