REMARK  Name = BDB055403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.636  -1.861   0.164  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1        0.844  -1.054   1.735  0.00  0.00    +0.015 S 
ATOM      3  O   LIG    1       -0.244  -0.104   1.908  0.00  0.00    -0.168 OA
ATOM      4  O   LIG    1        1.102  -2.068   2.742  0.00  0.00    -0.168 OA
BRANCH   2   5
ATOM      5  C   LIG    1        2.336  -0.097   1.570  0.00  0.00    +0.176 A 
ATOM      6  N   LIG    1        3.141  -0.460   0.539  0.00  0.00    -0.236 NA
ATOM      7  C   LIG    1        4.271   0.267   0.389  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        4.623   1.338   1.205  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        3.756   1.674   2.255  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        2.584   0.949   2.444  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1        5.911   2.066   0.964  0.00  0.00    +0.419 C 
ATOM     12  F   LIG    1        5.939   3.308   1.521  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        6.175   2.245  -0.359  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        6.983   1.402   1.474  0.00  0.00    -0.166 F 
ENDBRANCH   8  11
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.650  -2.670   0.141  0.00  0.00    +0.127 C 
BRANCH  15  18
ATOM     16  O   LIG    1       -1.588  -1.544  -2.257  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -2.211  -1.319  -1.224  0.00  0.00    +0.246 C 
ATOM     18  N   LIG    1       -1.837  -1.848  -0.010  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.310  -1.533   0.833  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     20  C   LIG    1       -3.370  -0.380  -1.245  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1       -4.460  -0.410  -0.362  0.00  0.00    +0.054 A 
ATOM     22 CL   LIG    1       -4.660  -1.599   0.878  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -5.487   0.537  -0.479  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -5.435   1.508  -1.476  0.00  0.00    +0.042 A 
ATOM     25 CL   LIG    1       -6.700   2.666  -1.610  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -4.369   1.544  -2.368  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -3.344   0.602  -2.254  0.00  0.00    +0.016 A 
ENDBRANCH  17  20
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6