REMARK  Name = BDB029900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.736  -0.814   0.044  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.306  -1.597  -0.420  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.150  -2.290  -1.158  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.529   0.239   0.647  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.522  -0.861   0.055  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        3.185  -0.486   0.266  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        2.125  -1.273  -0.217  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.413  -2.444  -0.915  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.419  -3.212  -1.392  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.736  -2.827  -1.127  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.096  -4.275  -1.989  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.787  -2.044  -0.646  0.00  0.00    +0.031 A 
BRANCH   5  17
ATOM     13  C   LIG    1        7.238   3.009   1.583  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.802   1.682   1.222  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.663   0.653   1.317  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.944  -0.395   0.911  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.618  -0.048   0.554  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.568   1.315   0.768  0.00  0.00    +0.116 A 
ENDBRANCH   5  17
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.679  -0.913  -0.463  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.631  -0.011   0.039  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.258  -0.646  -2.038  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.703  -1.704  -2.860  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.005   0.741  -2.354  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.016  -0.925  -1.882  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.817  -0.140  -0.835  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -4.712  -0.718   0.586  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.658   0.001   1.548  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -5.428   1.510   1.544  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -5.512   2.090   0.134  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -4.563   1.373  -0.827  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6