REMARK  Name = BDB023174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.623  -1.727  -1.658  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.812  -0.848  -1.415  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.103   0.515  -1.497  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.399   1.196  -1.227  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.544  -1.089  -0.976  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.357  -0.023  -0.678  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.562  -0.528  -0.293  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.538  -1.914  -0.335  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.705  -2.594   0.029  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.839  -1.875   0.422  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.833  -0.473   0.467  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.750  -3.933   0.005  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.671   0.225   0.092  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.237  -2.269  -0.774  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.993   0.235   0.853  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.063   1.562   1.399  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.501   1.227   1.806  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.066  -0.237   1.684  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -2.524   1.158  -2.036  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.807   0.641  -3.355  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.402   2.587  -1.826  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.721   0.571  -0.865  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1       -4.655  -0.418  -1.179  0.00  0.00    +0.157 A 
ATOM     24  C   LIG    1       -5.559  -0.843  -0.200  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -5.569  -0.249   1.065  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -4.667   0.774   1.375  0.00  0.00    -0.020 A 
ATOM     27  C   LIG    1       -3.737   1.175   0.403  0.00  0.00    +0.038 A 
BRANCH  23  28
ATOM     28  O   LIG    1       -4.651  -1.062  -2.383  0.00  0.00    -0.404 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -5.724  -0.635  -3.218  0.00  0.00    +0.575 C 
ATOM     30  F   LIG    1       -6.894  -1.153  -2.778  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1       -5.828   0.712  -3.245  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1       -5.519  -1.081  -4.475  0.00  0.00    -0.133 F 
ENDBRANCH  28  29
ENDBRANCH  23  28
BRANCH  26  33
ATOM     33  C   LIG    1       -4.663   1.410   2.742  0.00  0.00    +0.191 C 
BRANCH  33  34
ATOM     34  O   LIG    1       -4.712   2.825   2.638  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1       -5.303   3.044   1.895  0.00  0.00    +0.210 HD
ENDBRANCH  33  34
ENDBRANCH  26  33
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 8