REMARK  Name = BDB042470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.004   1.162  -0.085  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.846   0.296   0.860  0.00  0.00    +0.054 C 
BRANCH   2  12
ATOM      3  O   LIG    1       -4.171  -2.326  -2.320  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -4.259  -1.489  -1.429  0.00  0.00    +0.257 A 
ATOM      5  C   LIG    1       -5.565  -0.926  -1.012  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -5.592   0.028   0.018  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -6.820   0.565   0.421  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -8.000   0.150  -0.203  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -7.949  -0.797  -1.222  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1       -9.087  -1.187  -1.812  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -4.340   0.446   0.654  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.173  -0.078   0.245  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -6.743  -1.343  -1.637  0.00  0.00    +0.052 A 
ATOM     14  N   LIG    1       -3.151  -1.019  -0.760  0.00  0.00    -0.326 N 
ATOM     15  H   LIG    1       -2.269  -1.423  -1.054  0.00  0.00    +0.169 HD
ENDBRANCH   2  12
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.310   1.629   0.555  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.174   0.535   1.023  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1        2.286   1.079   1.843  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        3.278  -0.009   2.320  0.00  0.00    +0.120 C 
ATOM     20  N   LIG    1        3.812  -0.790   1.186  0.00  0.00    -0.327 N 
ATOM     21  C   LIG    1        2.716  -1.359   0.366  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        1.744  -0.248  -0.103  0.00  0.00    +0.103 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.971  -0.393   0.516  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        5.601  -1.269  -0.385  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1        6.769  -0.911  -1.065  0.00  0.00    +0.043 A 
ATOM     26 CL   LIG    1        7.494  -2.023  -2.162  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        7.354   0.331  -0.858  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.770   1.210   0.045  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        5.600   0.846   0.726  0.00  0.00    +0.023 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5