REMARK  Name = BDB059277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.320  -0.787  -1.782  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.428   0.142  -0.986  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.660   0.588  -0.536  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.722   1.012   0.392  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.772   0.821  -0.427  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -2.000   0.144  -0.470  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -3.163   0.733   0.038  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -3.096   2.012   0.584  0.00  0.00    +0.084 A 
ATOM      9  C   LIG    1       -1.876   2.683   0.611  0.00  0.00    +0.128 A 
ATOM     10  F   LIG    1       -1.822   3.918   1.127  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -0.714   2.107   0.111  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  O   LIG    1       -4.283  -0.042  -0.062  0.00  0.00    -0.492 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -5.506   0.502   0.436  0.00  0.00    +0.232 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -6.637  -0.471   0.251  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.724  -1.367  -0.959  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -6.437  -1.959   0.396  0.00  0.00    +0.007 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.844  -0.346  -0.861  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.550  -1.080  -1.526  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.518  -1.101   0.521  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.360  -2.526   0.322  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.989  -0.437   1.695  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        5.220  -0.702   0.364  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        5.609   0.628   0.459  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        4.711   1.605   0.645  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        6.954   0.972   0.351  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        7.912  -0.023   0.151  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        7.522  -1.361   0.060  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.173  -1.707   0.168  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 7