REMARK  Name = BDB023182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.336  -1.168   0.776  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        0.849  -0.188   1.317  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1        1.573   0.618   2.200  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1        1.196   1.468   2.596  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.510   0.273   1.101  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.264  -0.394   0.165  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.489   0.193   0.121  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.548   1.242   1.022  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -3.746   1.961   1.103  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -4.829   1.606   0.292  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.746   0.531  -0.605  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -3.865   2.992   1.951  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.544  -0.192  -0.705  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.276   1.290   1.651  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -5.848   0.197  -1.425  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -7.237   0.452  -1.161  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -7.544  -0.554  -2.275  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -6.127  -1.078  -2.026  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1        3.121   0.310   2.708  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1        3.184  -1.027   3.248  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        3.444   1.437   3.564  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.094   0.487   1.223  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        4.633  -0.604   0.478  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        5.446  -0.283  -0.646  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1        6.022  -1.299  -1.428  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        5.812  -2.643  -1.135  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.013  -2.987  -0.058  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.686   1.054  -1.000  0.00  0.00    +0.054 A 
ATOM     29  C   LIG    1        5.138   2.087  -0.256  0.00  0.00    +0.119 A 
ATOM     30  C   LIG    1        4.434  -1.988   0.731  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1        4.355   1.818   0.850  0.00  0.00    +0.074 A 
BRANCH  29  32
ATOM     32  O   LIG    1        5.352   3.393  -0.578  0.00  0.00    -0.507 OA
ATOM     33  H   LIG    1        5.948   3.436  -1.345  0.00  0.00    +0.292 HD
ENDBRANCH  29  32
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 5