REMARK  Name = BDB023381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.859  -1.820   1.833  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -2.200  -1.357   3.166  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.881  -3.235   1.546  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -3.967   1.226   0.208  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1       -3.169   0.428   1.043  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -2.878  -0.907   0.707  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1       -3.423  -1.466  -0.448  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -4.193  -0.669  -1.298  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.469   0.660  -0.971  0.00  0.00    +0.007 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -5.083   2.776   1.853  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -4.288   2.670   0.550  0.00  0.00    +0.013 C 
ATOM     12  C   LIG    1       -3.021   3.527   0.612  0.00  0.00    +0.012 C 
ENDBRANCH   4  11
BRANCH   7  13
ATOM     13  O   LIG    1       -3.170  -2.744  -0.855  0.00  0.00    -0.481 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -4.174  -3.670  -0.399  0.00  0.00    +0.342 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.019  -4.211  -1.541  0.00  0.00    +0.424 C 
ATOM     16  F   LIG    1       -5.753  -3.240  -2.129  0.00  0.00    -0.167 F 
ATOM     17  F   LIG    1       -5.891  -5.142  -1.081  0.00  0.00    -0.167 F 
ATOM     18  F   LIG    1       -4.270  -4.801  -2.497  0.00  0.00    -0.167 F 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  N   LIG    1       -0.331  -1.235   1.574  0.00  0.00    -0.179 N 
ATOM     20  H   LIG    1        0.052  -0.764   2.383  0.00  0.00    +0.177 HD
ATOM     21  C   LIG    1        0.363  -1.331   0.363  0.00  0.00    +0.298 C 
ATOM     22  O   LIG    1       -0.146  -1.784  -0.649  0.00  0.00    -0.265 OA
BRANCH  21  23
ATOM     23  C   LIG    1        1.716  -0.812   0.434  0.00  0.00    +0.192 A 
ATOM     24  O   LIG    1        2.427  -0.729  -0.738  0.00  0.00    -0.450 OA
ATOM     25  C   LIG    1        3.653  -0.223  -0.447  0.00  0.00    +0.139 A 
ATOM     26  C   LIG    1        3.757   0.029   0.909  0.00  0.00    +0.056 A 
ATOM     27  C   LIG    1        4.964   0.555   1.378  0.00  0.00    +0.134 A 
ATOM     28  C   LIG    1        6.010   0.807   0.481  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1        5.896   0.547  -0.899  0.00  0.00    -0.038 A 
ATOM     30  F   LIG    1        5.131   0.823   2.680  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        4.675   0.015  -1.367  0.00  0.00    +0.051 A 
ATOM     32  C   LIG    1        2.511  -0.352   1.474  0.00  0.00    +0.066 A 
BRANCH  29  33
ATOM     33  C   LIG    1        7.017   0.810  -1.892  0.00  0.00    +0.019 C 
ATOM     34  C   LIG    1        7.931   2.002  -1.741  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        8.464   0.616  -1.511  0.00  0.00    +0.009 C 
ENDBRANCH  29  33
ENDBRANCH  21  23
ENDBRANCH   1  19
TORSDOF 8