REMARK  Name = BDB048026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.615  -1.018   0.378  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -1.832  -1.232  -0.256  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1       -2.269  -2.528  -0.025  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.353  -3.119   0.848  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -1.566  -4.443   1.281  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.685  -5.145   0.827  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.587  -4.544  -0.046  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.398  -3.230  -0.484  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.345  -2.161   1.111  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        0.597   0.739   1.370  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        0.180   0.188   0.365  0.00  0.00    +0.280 C 
ATOM     12  N   LIG    1        0.487   0.607  -0.926  0.00  0.00    -0.180 N 
ATOM     13  H   LIG    1        0.314   0.013  -1.729  0.00  0.00    +0.177 HD
BRANCH  12  14
ATOM     14  S   LIG    1        1.348   1.976  -1.289  0.00  0.00    +0.075 S 
ATOM     15  O   LIG    1        0.721   3.114  -0.656  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        1.543   1.936  -2.724  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.933   1.688  -0.541  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        3.886   0.922  -1.221  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        5.153   0.709  -0.653  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1        5.447   1.298   0.588  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.496   2.075   1.254  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.238   2.276   0.688  0.00  0.00    +0.029 A 
BRANCH  19  23
ATOM     23  C   LIG    1        6.193  -0.105  -1.384  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        6.917   0.643  -2.260  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        7.098  -0.692  -0.552  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        5.650  -1.119  -2.114  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   2  27
ATOM     27  C   LIG    1       -2.585  -0.233  -1.028  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.894   1.027  -0.251  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1       -2.801   2.302  -0.838  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1       -2.355   2.514  -2.494  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -3.089   3.454  -0.099  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1       -3.503   3.354   1.229  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1       -3.640   2.099   1.812  0.00  0.00    +0.041 A 
ATOM     34 CL   LIG    1       -4.177   1.967   3.440  0.00  0.00    -0.084 Cl
ATOM     35  C   LIG    1       -3.350   0.945   1.082  0.00  0.00    +0.026 A 
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 6