REMARK  Name = BDB059294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.320  -1.052  -0.186  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        1.396  -2.074  -0.059  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -1.069  -1.640   0.016  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1       -0.162  -0.640  -0.295  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1       -0.347   0.308   0.041  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1       -0.729  -2.815   0.134  0.00  0.00    -0.269 OA
BRANCH   3  10
ATOM      7  C   LIG    1       -4.870   1.631  -0.586  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -4.327   0.339  -0.048  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1       -2.992  -0.023  -0.284  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -2.477  -1.215   0.246  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -3.305  -2.051   1.004  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -4.628  -1.688   1.253  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.133  -0.494   0.737  0.00  0.00    +0.003 A 
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  S   LIG    1        2.154  -0.279   1.094  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1        2.595  -1.330   1.985  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        1.334   0.819   1.564  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.559   0.379   0.271  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1        3.376   1.371  -0.683  0.00  0.00    +0.150 A 
ATOM     19  F   LIG    1        2.152   1.817  -0.998  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1        4.473   1.920  -1.341  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        5.760   1.472  -1.038  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        5.946   0.476  -0.075  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.845  -0.073   0.585  0.00  0.00    +0.031 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4