REMARK  Name = BDB049582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.232  -1.082   0.121  0.00  0.00    +0.044 A 
ATOM      2  N   LIG    1        0.347  -0.125  -0.704  0.00  0.00    -0.215 N 
ATOM      3  C   LIG    1        1.728  -0.102  -0.528  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        2.030  -1.146   0.353  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        3.372  -1.393   0.707  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        4.400  -0.584   0.195  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        4.075   0.457  -0.679  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        2.749   0.717  -1.047  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        0.808  -1.754   0.736  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        5.838  -0.863   0.558  0.00  0.00    +0.417 C 
ATOM     11  F   LIG    1        5.980  -1.369   1.815  0.00  0.00    -0.166 F 
ATOM     12  F   LIG    1        6.627   0.247   0.516  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        6.418  -1.768  -0.277  0.00  0.00    -0.166 F 
ENDBRANCH   6  10
BRANCH   2  14
ATOM     14  S   LIG    1       -0.516   1.053  -1.621  0.00  0.00    +0.086 S 
ATOM     15  O   LIG    1        0.395   1.484  -2.664  0.00  0.00    -0.148 OA
ATOM     16  O   LIG    1       -1.794   0.447  -1.939  0.00  0.00    -0.148 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -0.811   2.428  -0.545  0.00  0.00    +0.129 A 
ATOM     18  C   LIG    1       -1.503   3.540  -1.040  0.00  0.00    +0.068 A 
ATOM     19 CL   LIG    1       -2.096   3.660  -2.658  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1       -1.746   4.634  -0.202  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -1.305   4.624   1.121  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -0.618   3.519   1.613  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -0.369   2.421   0.786  0.00  0.00    +0.030 A 
ENDBRANCH  14  17
ENDBRANCH   2  14
BRANCH   1  24
ATOM     24  C   LIG    1       -1.699  -1.334   0.302  0.00  0.00    +0.056 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.217  -2.390  -0.681  0.00  0.00    +0.017 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.738  -2.490  -0.677  0.00  0.00    +0.121 C 
BRANCH  26  28
ATOM     27  O   LIG    1       -4.490  -2.421   1.631  0.00  0.00    -0.251 OA
ATOM     28  C   LIG    1       -4.253  -3.052   0.615  0.00  0.00    +0.305 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -4.402  -4.389   0.582  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -4.733  -4.618   1.476  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 8