REMARK  Name = BDB033390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.707  -0.287  -0.492  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1        0.898   0.242  -1.345  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.867  -1.773  -0.238  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.432  -1.316  -0.261  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -3.037   0.025  -0.003  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.673   0.353  -0.042  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -1.573   1.700   0.244  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -0.692   2.198   0.339  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -2.811   2.241   0.454  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -0.677  -0.595  -0.320  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.083  -1.897  -0.610  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -3.738   1.234   0.309  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -2.428  -2.255  -0.568  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.149   1.415   0.455  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -6.295   1.563   0.570  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        1.512   0.409   0.830  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        1.121   1.807   0.871  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        1.381  -0.461   1.978  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.245   0.430   0.409  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        4.367   0.760   1.649  0.00  0.00    -0.055 S 
ATOM     21  C   LIG    1        5.640   0.629   0.507  0.00  0.00    +0.081 A 
ATOM     22  C   LIG    1        5.139   0.356  -0.758  0.00  0.00    +0.153 A 
ATOM     23  N   LIG    1        3.740   0.252  -0.803  0.00  0.00    -0.216 NA
BRANCH  22  24
ATOM     24  C   LIG    1        5.963   0.177  -2.004  0.00  0.00    +0.435 C 
ATOM     25  F   LIG    1        7.268   0.501  -1.801  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1        5.522   0.957  -3.025  0.00  0.00    -0.164 F 
ATOM     27  F   LIG    1        5.944  -1.107  -2.444  0.00  0.00    -0.164 F 
ENDBRANCH  22  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5