REMARK  Name = BDB029821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.214  -1.288  -1.358  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.983  -1.180  -2.502  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.815  -0.469  -3.217  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.570  -1.992  -0.414  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.053   0.087  -0.014  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.850  -0.629  -0.144  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -0.050  -0.509  -1.292  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -0.462   0.341  -2.316  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.288   0.485  -3.421  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -1.654   1.056  -2.200  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -2.165   2.106  -3.467  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -2.447   0.932  -1.058  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -5.587   0.393   3.466  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -4.396   0.065   2.724  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -4.064   0.515   1.476  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -2.845  -0.068   1.197  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -2.445  -0.856   2.253  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -3.396  -0.756   3.153  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        3.396  -1.734  -2.426  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        3.490  -2.464  -1.707  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.630  -0.568  -2.235  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1        5.886  -1.264  -2.069  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        4.421   0.467  -3.225  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.384   0.215  -0.734  0.00  0.00    +0.144 A 
ATOM     25  C   LIG    1        4.194  -0.348   0.508  0.00  0.00    +0.133 A 
ATOM     26  N   LIG    1        4.008   0.701   1.360  0.00  0.00    -0.283 N 
ATOM     27  H   LIG    1        3.828   0.674   2.359  0.00  0.00    +0.188 HD
ATOM     28  N   LIG    1        4.069   1.901   0.753  0.00  0.00    -0.180 NA
ATOM     29  C   LIG    1        4.314   1.599  -0.527  0.00  0.00    +0.162 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5