REMARK  Name = BDB048644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.338  -0.117  -0.664  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1        0.891  -1.295  -0.144  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        2.261  -1.339   0.184  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        3.108  -2.348   0.717  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        4.373  -1.819   0.829  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        4.332  -0.527   0.369  0.00  0.00    -0.336 N 
ATOM      7  C   LIG    1        3.049  -0.204  -0.029  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        2.515   0.976  -0.570  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        1.151   0.995  -0.884  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  10
ATOM     10  S   LIG    1       -1.393  -0.019  -1.091  0.00  0.00    -0.120 S 
BRANCH  10  11
ATOM     11  C   LIG    1       -2.131  -0.375   0.539  0.00  0.00    +0.118 C 
BRANCH  11  14
ATOM     12  C   LIG    1       -3.813   2.356   0.913  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1       -4.347   0.990   0.666  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -3.612  -0.172   0.500  0.00  0.00    +0.023 A 
ATOM     15  S   LIG    1       -4.673  -1.494   0.231  0.00  0.00    -0.067 S 
ATOM     16  C   LIG    1       -6.030  -0.437   0.346  0.00  0.00    +0.182 A 
ATOM     17  N   LIG    1       -5.721   0.827   0.586  0.00  0.00    -0.240 NA
BRANCH  16  18
ATOM     18  C   LIG    1       -7.413  -1.004   0.182  0.00  0.00    +0.441 C 
ATOM     19  F   LIG    1       -7.692  -1.954   1.119  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1       -7.588  -1.597  -1.031  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1       -8.389  -0.062   0.293  0.00  0.00    -0.164 F 
ENDBRANCH  16  18
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  22
ATOM     22  C   LIG    1        5.465   0.386   0.393  0.00  0.00    +0.242 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.148   0.537  -0.945  0.00  0.00    +0.325 C 
ATOM     24  O   LIG    1        5.929  -0.124  -1.948  0.00  0.00    -0.249 OA
BRANCH  23  25
ATOM     25  O   LIG    1        7.098   1.509  -0.936  0.00  0.00    -0.479 OA
ATOM     26  H   LIG    1        7.214   1.977  -0.088  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 7