REMARK  Name = BDB058950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.994  -1.374   1.073  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -1.214  -2.723   1.316  0.00  0.00    +0.207 A 
ATOM      3  O   LIG    1       -1.917  -3.236   0.263  0.00  0.00    -0.351 OA
ATOM      4  N   LIG    1       -2.142  -2.268  -0.685  0.00  0.00    -0.077 NA
ATOM      5  C   LIG    1       -1.583  -1.149  -0.211  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -1.598   0.063  -1.023  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -0.781   0.151  -2.175  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -0.817   1.327  -2.952  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.638   2.396  -2.600  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.449   2.303  -1.473  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -2.435   1.144  -0.690  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1       -3.498   1.109   0.677  0.00  0.00    -0.083 Cl
BRANCH   7  13
ATOM     13  C   LIG    1        0.109  -0.988  -2.622  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1        1.093  -0.581  -3.479  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -0.570  -1.958  -3.293  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        0.772  -1.611  -1.608  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   5   6
BRANCH   2  17
ATOM     17  C   LIG    1       -0.820  -3.546   2.422  0.00  0.00    +0.173 A 
ATOM     18  O   LIG    1       -0.027  -3.106   3.451  0.00  0.00    -0.460 OA
ATOM     19  C   LIG    1        0.153  -4.139   4.311  0.00  0.00    +0.196 A 
ATOM     20  C   LIG    1       -0.508  -5.255   3.864  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1       -1.131  -4.877   2.650  0.00  0.00    +0.053 A 
ENDBRANCH   2  17
BRANCH   1  22
ATOM     22  C   LIG    1       -0.292  -0.384   1.944  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  N   LIG    1        1.110  -0.109   1.610  0.00  0.00    -0.340 N 
ATOM     24  H   LIG    1        1.599  -0.974   1.383  0.00  0.00    +0.146 HD
BRANCH  23  28
ATOM     25  C   LIG    1        2.023   2.970  -1.110  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        2.636   1.723  -1.226  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        2.341   0.719  -0.299  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        1.400   0.927   0.720  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        0.822   2.199   0.837  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1        1.119   3.216  -0.075  0.00  0.00    +0.017 A 
BRANCH  25  32
ATOM     31  O   LIG    1        2.285   3.789  -3.320  0.00  0.00    -0.245 OA
ATOM     32  C   LIG    1        2.310   4.005  -2.122  0.00  0.00    +0.337 C 
BRANCH  32  33
ATOM     33  O   LIG    1        2.617   5.197  -1.570  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        2.744   5.169  -0.602  0.00  0.00    +0.295 HD
ENDBRANCH  32  33
ENDBRANCH  25  32
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 8