REMARK  Name = BDB029780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.894   1.786   0.341  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        1.958   0.614   0.710  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1        0.869  -0.021   1.280  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.816  -1.043   1.321  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.212  -0.168   0.544  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1        3.312  -1.511   0.903  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.253  -2.157   1.418  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.513  -2.201   0.727  0.00  0.00    +0.079 A 
ATOM      9 CL   LIG    1        4.634  -3.861   1.173  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1        5.632  -1.561   0.189  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        5.550  -0.213  -0.177  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        4.337   0.478   0.003  0.00  0.00    +0.043 A 
BRANCH  11  13
ATOM     13  N   LIG    1        6.671   0.472  -0.727  0.00  0.00    -0.240 N 
ATOM     14  N   LIG    1        6.583   1.782  -1.067  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        7.789   2.095  -1.540  0.00  0.00    +0.135 A 
ATOM     16  C   LIG    1        8.672   1.009  -1.513  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        7.932  -0.023  -0.986  0.00  0.00    +0.114 A 
ENDBRANCH  11  13
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1       -0.481   0.687   1.101  0.00  0.00    -0.112 NA
ATOM     19  H   LIG    1       -0.329   1.626   0.695  0.00  0.00    +0.171 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -1.574  -0.180   0.108  0.00  0.00    +0.045 S 
ATOM     21  O   LIG    1       -1.293  -1.587   0.312  0.00  0.00    -0.157 OA
ATOM     22  O   LIG    1       -1.509   0.431  -1.199  0.00  0.00    -0.157 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.123   0.245   0.901  0.00  0.00    +0.190 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.322  -0.530   0.330  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -5.563  -0.345   1.229  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.471   0.776   0.736  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -7.004   0.496  -0.669  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -6.065  -0.366  -1.513  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -4.606  -0.141  -1.135  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 6