REMARK  Name = BDB055404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.801   0.475   1.597  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1        2.434   0.854   2.181  0.00  0.00    +0.015 S 
ATOM      3  O   LIG    1        2.636   2.289   2.083  0.00  0.00    -0.168 OA
ATOM      4  O   LIG    1        2.634   0.166   3.445  0.00  0.00    -0.168 OA
BRANCH   2   5
ATOM      5  C   LIG    1        3.559   0.101   1.022  0.00  0.00    +0.176 A 
ATOM      6  N   LIG    1        3.007  -0.826   0.195  0.00  0.00    -0.236 NA
ATOM      7  C   LIG    1        3.854  -1.404  -0.688  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        5.206  -1.093  -0.790  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        5.721  -0.114   0.070  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        4.886   0.498   0.999  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1        6.050  -1.779  -1.823  0.00  0.00    +0.419 C 
ATOM     12  F   LIG    1        7.385  -1.686  -1.579  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        5.779  -3.109  -1.924  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        5.857  -1.264  -3.068  0.00  0.00    -0.166 F 
ENDBRANCH   8  11
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.475   1.207   0.309  0.00  0.00    +0.127 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -1.995   1.150   0.269  0.00  0.00    +0.244 C 
ATOM     17  N   LIG    1       -0.785   0.768  -0.274  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -0.758   0.021  -0.955  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -2.088   1.870   1.255  0.00  0.00    -0.270 OA
BRANCH  16  26
ATOM     20  C   LIG    1       -6.768  -0.241   0.726  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1       -5.556  -0.076  -0.148  0.00  0.00    -0.031 A 
ATOM     22  C   LIG    1       -5.569  -0.415  -1.509  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1       -6.983  -1.052  -2.269  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -4.428  -0.238  -2.298  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -3.254   0.271  -1.738  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -3.218   0.600  -0.379  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -4.370   0.437   0.405  0.00  0.00    +0.017 A 
ENDBRANCH  16  26
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 6