REMARK  Name = BDB032344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.906   3.036   0.154  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.200   1.847   0.740  0.00  0.00    -0.041 A 
ATOM      3  C   LIG    1       -0.890   0.703   1.160  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1       -0.129  -0.335   1.684  0.00  0.00    +0.118 A 
ATOM      5  N   LIG    1        1.216  -0.306   1.839  0.00  0.00    -0.240 NA
ATOM      6  C   LIG    1        1.884   0.794   1.438  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1        1.193   1.885   0.905  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1        3.275   0.851   1.608  0.00  0.00    -0.306 N 
ATOM      9  C   LIG    1        4.048   1.151   0.380  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1        4.581  -0.059  -0.315  0.00  0.00    +0.151 A 
ATOM     11  N   LIG    1        5.156  -0.158  -1.492  0.00  0.00    -0.132 NA
ATOM     12  N   LIG    1        5.494  -1.480  -1.683  0.00  0.00    -0.125 NA
ATOM     13  C   LIG    1        5.119  -2.166  -0.616  0.00  0.00    +0.238 A 
ATOM     14  N   LIG    1        4.555  -1.293   0.273  0.00  0.00    -0.305 N 
ATOM     15  C   LIG    1        3.989  -1.554   1.581  0.00  0.00    +0.144 C 
ATOM     16  C   LIG    1        3.848  -0.260   2.399  0.00  0.00    +0.128 C 
BRANCH  13  17
ATOM     17  C   LIG    1        5.263  -3.616  -0.352  0.00  0.00    +0.452 C 
ATOM     18  F   LIG    1        5.705  -4.324  -1.420  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1        6.136  -3.848   0.665  0.00  0.00    -0.163 F 
ATOM     20  F   LIG    1        4.083  -4.176   0.031  0.00  0.00    -0.163 F 
ENDBRANCH  13  17
ENDBRANCH   6   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.382   0.535   1.039  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.688  -0.135  -0.218  0.00  0.00    -0.339 N 
ATOM     23  H   LIG    1       -2.071   0.157  -0.974  0.00  0.00    +0.146 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.029  -0.132  -0.629  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -4.400   0.119  -1.971  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -5.757   0.091  -2.293  0.00  0.00    +0.141 A 
ATOM     27  N   LIG    1       -5.888   0.366  -3.627  0.00  0.00    -0.330 N 
ATOM     28  H   LIG    1       -6.767   0.402  -4.120  0.00  0.00    +0.168 HD
ATOM     29  C   LIG    1       -4.652   0.563  -4.157  0.00  0.00    +0.109 A 
ATOM     30 CL   LIG    1       -4.535   0.917  -5.811  0.00  0.00    -0.064 Cl
ATOM     31  N   LIG    1       -6.790  -0.160  -1.472  0.00  0.00    -0.237 NA
ATOM     32  C   LIG    1       -6.396  -0.427  -0.210  0.00  0.00    +0.115 A 
ATOM     33  C   LIG    1       -3.702   0.423  -3.181  0.00  0.00    +0.051 A 
ATOM     34  C   LIG    1       -5.082  -0.430   0.248  0.00  0.00    +0.043 A 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5