REMARK  Name = BDB030071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.860  -1.591   0.648  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.770  -2.613   0.425  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.735  -3.144  -0.445  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.065  -0.715   1.487  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.538  -0.518  -0.653  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.345  -0.590   0.089  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -0.379  -1.576  -0.174  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -0.615  -2.495  -1.195  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.292  -3.445  -1.478  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -1.793  -2.434  -1.938  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -2.087  -3.572  -3.199  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -2.752  -1.455  -1.672  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -6.506   2.472  -0.636  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -5.252   1.832  -0.333  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -4.702   0.766  -0.990  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -3.510   0.519  -0.341  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -3.338   1.417   0.689  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -4.400   2.190   0.669  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        3.180  -2.380   0.981  0.00  0.00    -0.106 NA
ATOM     20  H   LIG    1        3.153  -1.841   1.867  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.237  -1.518  -0.086  0.00  0.00    +0.091 S 
ATOM     22  O   LIG    1        3.458  -1.116  -1.245  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        5.455  -2.287  -0.232  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.616  -0.058   0.868  0.00  0.00    +0.195 A 
ATOM     25  N   LIG    1        4.430  -0.213   2.211  0.00  0.00    -0.236 NA
ATOM     26  C   LIG    1        4.640   0.892   2.954  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        5.016   2.119   2.422  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.185   2.232   1.042  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.974   1.120   0.234  0.00  0.00    +0.049 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5