REMARK  Name = BDB027183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.528  -0.892   1.331  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        0.094  -2.143   1.397  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        1.292  -2.352   0.712  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.880  -1.308  -0.008  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1        1.257  -0.057  -0.066  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.059   0.159   0.619  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -2.047  -0.616   2.223  0.00  0.00    +0.061 S 
ATOM      8  O   LIG    1       -2.083  -1.565   3.316  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1       -2.148   0.804   2.476  0.00  0.00    -0.153 OA
BRANCH   7  11
ATOM     10  C   LIG    1       -3.306  -2.511   0.777  0.00  0.00    +0.132 C 
ATOM     11  N   LIG    1       -3.254  -1.061   1.085  0.00  0.00    -0.175 NA
BRANCH  11  12
ATOM     12  C   LIG    1       -3.437  -0.182  -0.115  0.00  0.00    +0.099 C 
ATOM     13  C   LIG    1       -3.765   1.288   0.213  0.00  0.00    +0.137 C 
ATOM     14  N   LIG    1       -4.501   1.798  -0.980  0.00  0.00    -0.268 N 
ATOM     15  C   LIG    1       -4.935   0.643  -1.798  0.00  0.00    +0.118 C 
ATOM     16  C   LIG    1       -4.676  -0.573  -0.923  0.00  0.00    +0.042 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -4.988   3.039  -1.095  0.00  0.00    +0.169 C 
ATOM     18  N   LIG    1       -5.413   4.110  -1.203  0.00  0.00    -0.174 NA
ENDBRANCH  14  17
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  O   LIG    1        3.047  -1.611  -0.673  0.00  0.00    -0.438 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.996  -0.612  -0.718  0.00  0.00    +0.220 A 
ATOM     21  N   LIG    1        4.158   0.005  -1.908  0.00  0.00    -0.220 NA
ATOM     22  C   LIG    1        5.119   0.955  -1.974  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1        5.929   1.319  -0.905  0.00  0.00    +0.073 A 
ATOM     24  C   LIG    1        5.745   0.643   0.306  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        4.766  -0.343   0.404  0.00  0.00    +0.068 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.979   2.370  -1.089  0.00  0.00    +0.419 C 
ATOM     27  F   LIG    1        6.566   3.400  -1.878  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        7.380   2.938   0.082  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        8.107   1.880  -1.672  0.00  0.00    -0.166 F 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 7