REMARK  Name = BDB023324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.473   1.305   2.888  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -2.215   2.468   2.452  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.235   1.018   4.286  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -3.691  -2.083   2.575  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1       -2.990  -0.975   3.078  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -2.337  -0.093   2.207  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1       -2.386  -0.302   0.829  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -3.063  -1.410   0.319  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -3.719  -2.288   1.187  0.00  0.00    +0.007 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -5.915  -2.996   3.332  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -4.399  -3.024   3.538  0.00  0.00    +0.013 C 
ATOM     12  C   LIG    1       -3.859  -4.453   3.433  0.00  0.00    +0.012 C 
ENDBRANCH   4  11
BRANCH   7  13
ATOM     13  O   LIG    1       -1.690   0.496  -0.038  0.00  0.00    -0.481 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -2.571   1.437  -0.693  0.00  0.00    +0.342 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.754   2.471  -1.452  0.00  0.00    +0.424 C 
ATOM     16  F   LIG    1       -0.867   3.096  -0.645  0.00  0.00    -0.167 F 
ATOM     17  F   LIG    1       -2.556   3.414  -1.997  0.00  0.00    -0.167 F 
ATOM     18  F   LIG    1       -1.058   1.898  -2.463  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       -0.020   1.260   2.098  0.00  0.00    -0.179 N 
ATOM     20  H   LIG    1        0.039   0.660   1.278  0.00  0.00    +0.177 HD
ATOM     21  C   LIG    1        0.928   2.284   2.213  0.00  0.00    +0.298 C 
ATOM     22  O   LIG    1        0.893   3.150   3.073  0.00  0.00    -0.265 OA
BRANCH  21  23
ATOM     23  C   LIG    1        1.953   2.183   1.196  0.00  0.00    +0.192 A 
ATOM     24  O   LIG    1        1.861   1.194   0.245  0.00  0.00    -0.450 OA
ATOM     25  C   LIG    1        2.935   1.329  -0.581  0.00  0.00    +0.140 A 
ATOM     26  C   LIG    1        3.728   2.389  -0.170  0.00  0.00    +0.056 A 
ATOM     27  C   LIG    1        4.888   2.654  -0.907  0.00  0.00    +0.136 A 
ATOM     28  C   LIG    1        5.205   1.865  -2.017  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1        4.375   0.810  -2.424  0.00  0.00    +0.036 A 
ATOM     30  F   LIG    1        5.704   3.659  -0.559  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        3.214   0.523  -1.686  0.00  0.00    +0.070 A 
ATOM     32  C   LIG    1        3.087   2.940   0.969  0.00  0.00    +0.066 A 
BRANCH  29  33
ATOM     33  N   LIG    1        4.715   0.020  -3.545  0.00  0.00    -0.330 N 
ATOM     34  C   LIG    1        5.583   0.372  -4.635  0.00  0.00    +0.106 C 
ATOM     35  C   LIG    1        4.996  -0.832  -5.378  0.00  0.00    +0.038 C 
ATOM     36  C   LIG    1        3.820  -0.704  -4.403  0.00  0.00    +0.106 C 
ENDBRANCH  29  33
ENDBRANCH  21  23
ENDBRANCH   1  19
TORSDOF 8