REMARK  Name = BDB023147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.819   0.498  -1.831  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.463   1.287  -2.354  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.964  -0.375  -1.147  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.364  -1.414  -0.645  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.406   0.096  -1.072  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.320  -0.713  -0.443  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.527  -0.089  -0.482  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.414   1.128  -1.132  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.571   1.904  -1.263  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.785   1.441  -0.744  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.870   0.207  -0.081  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.528   3.090  -1.885  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.717  -0.588   0.048  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.049   1.245  -1.508  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.108  -0.248   0.423  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.320  -1.197   1.482  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.771  -0.707   1.514  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.234   0.549   0.821  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.331   0.049  -2.342  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -3.945   1.258  -2.847  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.203  -1.129  -3.168  0.00  0.00    -0.150 OA
BRANCH  19  26
ATOM     22  C   LIG    1       -5.088  -0.353   1.206  0.00  0.00    -0.008 A 
ATOM     23  S   LIG    1       -6.173  -1.436   0.451  0.00  0.00    -0.096 S 
ATOM     24  C   LIG    1       -5.424  -1.248  -1.079  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -5.969  -1.982  -2.260  0.00  0.00    +0.053 C 
ATOM     26  C   LIG    1       -4.338  -0.394  -1.004  0.00  0.00    +0.119 A 
ATOM     27  C   LIG    1       -4.160   0.139   0.311  0.00  0.00    +0.040 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -6.075   1.183   2.913  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -5.215  -0.048   2.669  0.00  0.00    +0.039 C 
ENDBRANCH  22  29
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 5