REMARK  Name = BDB029934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.976  -0.962   0.382  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -1.696  -0.415   0.208  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -0.577  -0.972   0.851  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -0.748  -2.086   1.671  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1        0.308  -2.640   2.291  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -2.014  -2.637   1.854  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -2.227  -4.011   2.870  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -3.122  -2.081   1.215  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -6.228  -0.182  -0.820  0.00  0.00    +0.112 A 
ATOM     10  N   LIG    1       -5.517   0.792  -1.482  0.00  0.00    -0.337 N 
ATOM     11  C   LIG    1       -6.041   1.773  -2.400  0.00  0.00    +0.150 C 
ATOM     12  C   LIG    1       -4.198   0.665  -1.133  0.00  0.00    +0.115 A 
ATOM     13  C   LIG    1       -4.151  -0.408  -0.272  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -5.411  -0.926  -0.100  0.00  0.00    -0.232 NA
BRANCH   9  15
ATOM     15  C   LIG    1       -7.708  -0.380  -0.941  0.00  0.00    +0.102 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -8.499   0.516   0.013  0.00  0.00    +0.167 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -9.181   0.789   2.257  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1       -8.505  -0.044   1.327  0.00  0.00    -0.383 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   1  13
BRANCH   3  19
ATOM     19  C   LIG    1        0.748  -0.337   0.624  0.00  0.00    +0.262 C 
ATOM     20  N   LIG    1        1.851  -0.896   1.245  0.00  0.00    -0.228 N 
ATOM     21  H   LIG    1        1.820  -1.858   1.598  0.00  0.00    +0.171 HD
ATOM     22  O   LIG    1        0.853   0.650  -0.103  0.00  0.00    -0.269 OA
BRANCH  20  23
ATOM     23  N   LIG    1        3.215  -0.452   0.701  0.00  0.00    -0.112 NA
ATOM     24  H   LIG    1        3.088   0.350   0.061  0.00  0.00    +0.171 HD
BRANCH  23  25
ATOM     25  S   LIG    1        4.054  -1.692  -0.122  0.00  0.00    +0.045 S 
ATOM     26  O   LIG    1        3.650  -2.942   0.491  0.00  0.00    -0.157 OA
ATOM     27  O   LIG    1        3.869  -1.460  -1.536  0.00  0.00    -0.157 OA
BRANCH  25  28
ATOM     28  C   LIG    1        5.749  -1.350   0.347  0.00  0.00    +0.190 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.264   0.043  -0.040  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        7.464   0.408   0.855  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1        8.056   1.769   0.495  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        8.444   1.840  -0.977  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        7.270   1.480  -1.879  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1        6.675   0.119  -1.521  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   3  19
TORSDOF 9