REMARK  Name = BDB053548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.695  -1.652   1.003  0.00  0.00    +0.170 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.502  -2.870   1.435  0.00  0.00    -0.025 A 
ATOM      3  C   LIG    1        2.107  -3.735   0.508  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        2.834  -4.847   0.936  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        2.964  -5.117   2.295  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        2.367  -4.275   3.229  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        1.641  -3.160   2.804  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1        2.255  -0.973  -0.752  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        1.495  -0.648   0.151  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        1.237   0.703   0.453  0.00  0.00    -0.184 N 
ATOM     11  H   LIG    1        0.451   0.930   1.065  0.00  0.00    +0.177 HD
BRANCH  10  12
ATOM     12  S   LIG    1        1.763   2.014  -0.412  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1        1.102   3.156   0.189  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        3.203   1.972  -0.531  0.00  0.00    -0.150 OA
BRANCH  12  15
ATOM     15  C   LIG    1        1.036   1.763  -2.011  0.00  0.00    +0.109 A 
ATOM     16  C   LIG    1        1.753   1.093  -3.005  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1        1.176   0.904  -4.261  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -0.103   1.397  -4.524  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -0.808   2.087  -3.537  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -0.237   2.280  -2.279  0.00  0.00    +0.029 A 
ENDBRANCH  12  15
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   1  21
ATOM     21  S   LIG    1       -0.815  -2.150   0.090  0.00  0.00    -0.081 S 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.770  -0.686   0.152  0.00  0.00    +0.137 A 
ATOM     23  S   LIG    1       -3.208  -0.510  -0.756  0.00  0.00    -0.061 S 
ATOM     24  C   LIG    1       -3.416   1.075  -0.121  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -2.362   1.357   0.751  0.00  0.00    +0.081 A 
ATOM     26  C   LIG    1       -2.319   2.614   1.387  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -3.332   3.541   1.134  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1       -4.378   3.243   0.265  0.00  0.00    +0.021 A 
ATOM     29 CL   LIG    1       -3.286   5.077   1.910  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -4.437   2.004  -0.379  0.00  0.00    +0.018 A 
ATOM     31  N   LIG    1       -1.424   0.342   0.896  0.00  0.00    -0.233 NA
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6