REMARK  Name = BDB055808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.363  -1.682   1.438  0.00  0.00    +0.165 A 
ATOM      2  C   LIG    1        1.273  -0.692   2.425  0.00  0.00    +0.086 A 
ATOM      3 CL   LIG    1        2.630  -0.254   3.397  0.00  0.00    -0.080 Cl
ATOM      4  C   LIG    1        0.073  -0.008   2.623  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -1.044  -0.334   1.853  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.979  -1.359   0.910  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        0.221  -2.043   0.715  0.00  0.00    +0.086 A 
ATOM      8 CL   LIG    1        0.266  -3.292  -0.476  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   5   9
ATOM      9  N   LIG    1       -2.205   0.495   1.927  0.00  0.00    -0.216 N 
ATOM     10  H   LIG    1       -2.408   0.915   2.838  0.00  0.00    +0.174 HD
BRANCH   9  11
ATOM     11  S   LIG    1       -2.308   1.731   0.744  0.00  0.00    +0.074 S 
ATOM     12  O   LIG    1       -1.003   1.856   0.129  0.00  0.00    -0.150 OA
ATOM     13  O   LIG    1       -2.965   2.833   1.411  0.00  0.00    -0.150 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -3.457   1.099  -0.449  0.00  0.00    +0.127 A 
ATOM     15  C   LIG    1       -3.527   1.658  -1.730  0.00  0.00    +0.069 A 
ATOM     16 CL   LIG    1       -2.592   3.017  -2.239  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1       -4.425   1.132  -2.666  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -5.251   0.064  -2.321  0.00  0.00    +0.042 A 
ATOM     19 CL   LIG    1       -6.351  -0.576  -3.477  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -5.198  -0.483  -1.041  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -4.305   0.036  -0.102  0.00  0.00    +0.032 A 
ENDBRANCH  11  14
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  22
ATOM     22  O   LIG    1        2.561  -2.305   1.177  0.00  0.00    -0.452 OA
BRANCH  22  25
ATOM     23  C   LIG    1        4.127  -0.002  -1.285  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1        3.124  -0.582  -0.503  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        3.444  -1.643   0.350  0.00  0.00    +0.147 A 
ATOM     26  C   LIG    1        4.759  -2.095   0.362  0.00  0.00    +0.157 A 
ATOM     27  N   LIG    1        5.751  -1.567  -0.392  0.00  0.00    -0.259 NA
ATOM     28  C   LIG    1        5.410  -0.532  -1.201  0.00  0.00    +0.124 A 
BRANCH  23  32
ATOM     29  N   LIG    1        2.729   1.842  -2.081  0.00  0.00    -0.325 N 
ATOM     30  H   LIG    1        2.114   1.793  -1.281  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1        2.638   2.659  -2.673  0.00  0.00    +0.145 HD
ATOM     32  C   LIG    1        3.888   1.126  -2.215  0.00  0.00    +0.243 C 
ATOM     33  O   LIG    1        4.709   1.427  -3.071  0.00  0.00    -0.270 OA
ENDBRANCH  23  32
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 6