REMARK  Name = BDB048019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.612  -0.876  -1.259  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        0.779  -0.905  -1.228  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1        1.237  -2.215  -1.291  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.117  -3.043  -1.336  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        0.292  -4.439  -1.392  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.584  -4.971  -1.407  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.692  -4.132  -1.365  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.540  -2.743  -1.306  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -1.023  -2.203  -1.310  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1       -1.051   1.400  -0.784  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -1.430   0.322  -1.211  0.00  0.00    +0.280 C 
ATOM     12  N   LIG    1       -2.731   0.121  -1.675  0.00  0.00    -0.180 N 
ATOM     13  H   LIG    1       -2.956  -0.711  -2.207  0.00  0.00    +0.177 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -3.754   1.379  -2.036  0.00  0.00    +0.081 S 
ATOM     15  O   LIG    1       -5.025   0.759  -2.345  0.00  0.00    -0.149 OA
ATOM     16  O   LIG    1       -3.086   2.243  -2.982  0.00  0.00    -0.149 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -4.057   2.334  -0.573  0.00  0.00    +0.147 A 
ATOM     18  S   LIG    1       -4.871   3.824  -0.819  0.00  0.00    -0.057 S 
ATOM     19  C   LIG    1       -4.844   4.168   0.836  0.00  0.00    +0.080 A 
ATOM     20 CL   LIG    1       -5.533   5.631   1.415  0.00  0.00    -0.076 Cl
ATOM     21  C   LIG    1       -4.248   3.192   1.591  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -3.795   2.117   0.769  0.00  0.00    +0.038 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   2  23
ATOM     23  C   LIG    1        1.671   0.259  -1.228  0.00  0.00    +0.157 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.304   0.512   0.122  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        1.524   0.751   1.265  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        2.116   0.996   2.516  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        3.514   1.022   2.611  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        4.301   0.801   1.482  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.700   0.552   0.247  0.00  0.00    +0.005 A 
BRANCH  26  30
ATOM     30  C   LIG    1        1.260   1.268   3.729  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        1.056   2.599   3.932  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        0.020   0.708   3.649  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        1.806   0.793   4.884  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 6