REMARK  Name = BDB048593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.062   0.474   0.013  0.00  0.00    -0.037 A 
ATOM      2  C   LIG    1       -0.641   0.486  -1.262  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -2.028   0.402  -1.408  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.858   0.295  -0.290  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -2.288   0.274   0.982  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.899   0.360   1.132  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.434   0.554   0.180  0.00  0.00    +0.109 C 
BRANCH   7   8
ATOM      8  S   LIG    1        2.179  -1.106   0.293  0.00  0.00    -0.119 S 
BRANCH   8  15
ATOM      9  C   LIG    1        6.934  -0.481  -1.796  0.00  0.00    +0.047 C 
ATOM     10  C   LIG    1        6.081  -0.372  -0.561  0.00  0.00    -0.008 A 
ATOM     11  C   LIG    1        6.625   0.064   0.659  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        5.806   0.144   1.788  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        4.450  -0.203   1.710  0.00  0.00    +0.058 A 
ATOM     14 CL   LIG    1        3.522  -0.084   3.168  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1        3.892  -0.630   0.498  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        4.721  -0.719  -0.628  0.00  0.00    +0.023 A 
BRANCH  11  17
ATOM     17  O   LIG    1        7.959   0.378   0.633  0.00  0.00    -0.480 OA
BRANCH  17  18
ATOM     18  C   LIG    1        8.556   0.819   1.857  0.00  0.00    +0.349 C 
BRANCH  18  19
ATOM     19  C   LIG    1       10.026   1.110   1.605  0.00  0.00    +0.343 C 
ATOM     20  O   LIG    1       10.797   1.520   2.460  0.00  0.00    -0.247 OA
BRANCH  19  21
ATOM     21  O   LIG    1       10.411   0.870   0.327  0.00  0.00    -0.478 OA
ATOM     22  H   LIG    1        9.641   0.548  -0.192  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  11  17
ENDBRANCH   8  15
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  O   LIG    1       -4.193   0.219  -0.579  0.00  0.00    -0.487 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -5.087   0.070   0.520  0.00  0.00    +0.264 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.489  -0.020  -0.029  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -7.009  -1.252  -0.449  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -8.300  -1.335  -0.974  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -9.093  -0.185  -1.105  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1       -8.569   1.048  -0.689  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1       -7.277   1.131  -0.164  0.00  0.00    +0.007 A 
BRANCH  28  31
ATOM     31  C   LIG    1      -10.495  -0.278  -1.653  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1      -11.419  -0.495  -0.676  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1      -10.655  -1.292  -2.550  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1      -10.894   0.853  -2.300  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 11