REMARK  Name = BDB023207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.240   0.524  -0.429  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.605  -0.003   0.473  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.232  -0.680   1.524  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.726  -1.193   2.235  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.842  -0.041   0.544  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.544   0.462  -0.523  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.869   0.329  -0.252  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.045  -0.259   0.989  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.357  -0.466   1.429  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.433  -0.087   0.619  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.227   0.497  -0.640  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.594  -1.027   2.623  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.913   0.723  -1.088  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.740  -0.494   1.499  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.327   0.887  -1.436  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.352   1.056  -2.862  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.880   1.052  -2.750  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.658   0.347  -1.408  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -2.866  -0.600   1.831  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -3.196   0.805   1.887  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.059  -1.482   2.962  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.625  -1.370   0.432  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -4.847  -0.908  -0.062  0.00  0.00    +0.066 A 
ATOM     24  C   LIG    1       -5.391  -1.475  -1.224  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -4.719  -2.507  -1.880  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.512  -2.986  -1.373  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -2.964  -2.423  -0.219  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -5.654   0.088   0.648  0.00  0.00    +0.260 C 
ATOM     29  O   LIG    1       -5.794   1.189  -0.130  0.00  0.00    -0.470 OA
ATOM     30  C   LIG    1       -6.506   2.277   0.472  0.00  0.00    +0.274 C 
ATOM     31  C   LIG    1       -6.408   2.212   1.977  0.00  0.00    +0.303 C 
ATOM     32  O   LIG    1       -6.914   0.936   2.361  0.00  0.00    -0.387 OA
ATOM     33  N   LIG    1       -6.133  -0.117   1.833  0.00  0.00    -0.045 NA
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 5