REMARK  Name = BDB048025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.151  -2.118   0.430  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -0.949  -1.683   1.159  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1       -2.055  -2.477   0.892  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.648  -3.451  -0.018  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.579  -4.410  -0.466  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -3.894  -4.363   0.002  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.286  -3.381   0.905  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.378  -2.423   1.366  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.277  -3.222  -0.293  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.908  -0.868   1.407  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        1.467  -1.508   0.466  0.00  0.00    +0.280 C 
ATOM     12  N   LIG    1        2.172  -1.695  -0.722  0.00  0.00    -0.180 N 
ATOM     13  H   LIG    1        1.732  -2.112  -1.533  0.00  0.00    +0.177 HD
BRANCH  12  14
ATOM     14  S   LIG    1        3.682  -1.093  -1.029  0.00  0.00    +0.075 S 
ATOM     15  O   LIG    1        3.941  -1.389  -2.423  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        4.593  -1.532   0.003  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.459   0.665  -0.904  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        2.872   1.358  -1.969  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        2.723   2.744  -1.888  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        3.169   3.425  -0.754  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1        2.974   5.131  -0.653  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        3.767   2.734   0.301  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        3.916   1.347   0.228  0.00  0.00    +0.030 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   2  24
ATOM     24  C   LIG    1       -0.961  -0.531   2.066  0.00  0.00    +0.157 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -0.895   0.791   1.334  0.00  0.00    -0.027 A 
ATOM     26  C   LIG    1       -1.740   1.082   0.250  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1       -1.681   2.325  -0.406  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1       -0.785   3.296   0.060  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        0.042   3.026   1.148  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -0.009   1.783   1.777  0.00  0.00    +0.005 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -2.596   2.610  -1.572  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       -3.873   2.871  -1.178  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -2.677   1.565  -2.442  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -2.206   3.682  -2.318  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 6