REMARK  Name = BDB023183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.786   1.471  -1.033  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.843   1.598  -0.027  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.515   1.449  -1.578  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.776   1.780  -2.722  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.506   0.977  -0.626  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.829   1.097  -0.969  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.572   0.596   0.053  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.744   0.141   1.066  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.350  -0.410   2.201  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.744  -0.487   2.281  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.560  -0.028   1.236  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.603  -0.863   3.218  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.965   0.538   0.094  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.417   0.386   0.626  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.966  -0.102   1.342  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.919  -0.125   0.266  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.947  -0.594   1.301  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.733  -1.025   2.131  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.095   2.204  -1.757  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1       -2.639   3.024  -0.691  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.799   2.769  -3.048  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -5.428  -0.073  -1.518  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1       -4.493   0.956  -1.363  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1       -3.240   0.867  -1.997  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1       -2.944  -0.234  -2.804  0.00  0.00    +0.068 A 
ATOM     26 CL   LIG    1       -1.456  -0.456  -3.642  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -3.900  -1.249  -2.965  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -5.141  -1.171  -2.329  0.00  0.00    +0.030 A 
BRANCH  22  29
ATOM     29  S   LIG    1       -7.036   0.065  -0.753  0.00  0.00    +0.060 S 
ATOM     30  O   LIG    1       -7.931  -0.804  -1.487  0.00  0.00    -0.153 OA
ATOM     31  O   LIG    1       -7.313   1.477  -0.604  0.00  0.00    -0.153 OA
BRANCH  29  33
ATOM     32  C   LIG    1       -6.549  -2.054   0.863  0.00  0.00    +0.131 C 
ATOM     33  N   LIG    1       -6.784  -0.604   0.787  0.00  0.00    -0.183 NA
ATOM     34  C   LIG    1       -5.983   0.176   1.743  0.00  0.00    +0.131 C 
ENDBRANCH  29  33
ENDBRANCH  22  29
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6