REMARK  Name = BDB023287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.935  -1.208   2.336  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        0.838  -0.704   1.228  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1        1.952  -0.425   0.412  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1        1.858   0.355  -0.230  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.419  -0.324   0.610  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.550  -0.362   1.387  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.599   0.027   0.614  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.165   0.319  -0.668  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -3.122   0.739  -1.598  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -4.464   0.849  -1.217  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.879   0.537   0.086  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -2.764   1.042  -2.853  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.925   0.125   1.034  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -0.763   0.090  -0.668  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.237   0.668   0.454  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -7.383   0.594  -0.407  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -8.223   0.437   0.864  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -6.915  -0.007   1.526  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1        3.499  -0.542   1.029  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.731  -1.851   1.587  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        3.768   0.697   1.720  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.582  -0.513  -0.331  0.00  0.00    +0.123 A 
ATOM     23  C   LIG    1        5.947  -0.056  -0.281  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        6.546  -0.162  -1.543  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        7.881   0.232  -1.768  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        8.630   0.735  -0.704  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        8.068   0.845   0.558  0.00  0.00    +0.001 A 
ATOM     28  S   LIG    1        5.465  -0.818  -2.713  0.00  0.00    -0.095 S 
ATOM     29  C   LIG    1        6.743   0.455   0.778  0.00  0.00    +0.011 A 
ATOM     30  C   LIG    1        4.213  -0.983  -1.572  0.00  0.00    +0.075 A 
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 4