REMARK  Name = BDB051826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.413  -0.571   1.300  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.423   0.792   1.567  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.548   1.512   1.437  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.743   1.433   1.966  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.929   0.703   2.095  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.961  -0.675   1.816  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.763  -1.312   1.450  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1        4.039   0.180  -2.218  0.00  0.00    -0.178 NA
ATOM      9  C   LIG    1        2.750   0.844  -1.894  0.00  0.00    +0.128 C 
ATOM     10  C   LIG    1        1.704  -0.148  -1.364  0.00  0.00    +0.125 C 
ATOM     11  N   LIG    1        2.260  -0.981  -0.288  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        1.653  -1.267   0.928  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1        2.093  -2.098   1.720  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        3.543  -1.625  -0.569  0.00  0.00    +0.125 C 
ATOM     15  C   LIG    1        4.128  -1.274  -1.943  0.00  0.00    +0.128 C 
BRANCH   8  16
ATOM     16  S   LIG    1        5.432   1.097  -2.326  0.00  0.00    +0.032 S 
ATOM     17  O   LIG    1        6.368   0.351  -3.144  0.00  0.00    -0.158 OA
ATOM     18  O   LIG    1        5.053   2.447  -2.686  0.00  0.00    -0.158 OA
BRANCH  16  20
ATOM     19  C   LIG    1        5.225   1.798   0.363  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1        6.097   1.110  -0.662  0.00  0.00    +0.182 C 
ENDBRANCH  16  20
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  C   LIG    1       -3.219  -1.511   1.962  0.00  0.00    +0.090 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.519  -0.802   1.661  0.00  0.00    +0.046 A 
ATOM     23  N   LIG    1       -4.930  -0.453   0.348  0.00  0.00    -0.296 N 
ATOM     24  C   LIG    1       -6.128   0.244   0.158  0.00  0.00    +0.114 A 
ATOM     25  C   LIG    1       -6.294   0.522  -1.184  0.00  0.00    +0.054 A 
ATOM     26  C   LIG    1       -5.200  -0.042  -1.861  0.00  0.00    +0.078 A 
ATOM     27 CL   LIG    1       -4.979   0.027  -3.544  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -6.989   0.582   1.264  0.00  0.00    +0.273 A 
ATOM     29  O   LIG    1       -8.054   1.182   1.163  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -6.521   0.171   2.493  0.00  0.00    -0.326 N 
ATOM     31  H   LIG    1       -7.120   0.400   3.280  0.00  0.00    +0.168 HD
ATOM     32  C   LIG    1       -4.401  -0.646  -0.919  0.00  0.00    +0.133 A 
ATOM     33 CL   LIG    1       -2.978  -1.546  -1.218  0.00  0.00    -0.062 Cl
ATOM     34  C   LIG    1       -5.334  -0.489   2.690  0.00  0.00    +0.108 A 
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5