REMARK  Name = BDB006147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.510  -0.341   0.698  0.00  0.00    -0.258 N 
ATOM      2  C   LIG    1        1.527  -0.660  -0.234  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        0.462   0.141   0.121  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.931   0.508  -0.242  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -1.267   1.486   0.830  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1       -0.169   1.773   1.681  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1       -0.058   2.615   2.557  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.875   0.883   1.219  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1        2.122   0.620   1.590  0.00  0.00    -0.165 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -2.548   2.098   0.936  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -3.069   2.527   2.169  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1       -2.416   2.260   3.310  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -4.326   3.134   2.249  0.00  0.00    +0.078 A 
ATOM     14 CL   LIG    1       -4.963   3.639   3.768  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1       -5.094   3.313   1.101  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -4.608   2.869  -0.126  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -3.351   2.261  -0.205  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.750  -0.774  -0.205  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1       -2.286  -1.348  -1.385  0.00  0.00    -0.044 A 
ATOM     20  C   LIG    1       -2.115  -0.721  -2.744  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -3.046  -2.530  -1.296  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -3.265  -3.148  -0.068  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -4.192  -4.596   0.008  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -2.743  -2.600   1.095  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.995  -1.424   1.027  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   2  26
ATOM     26  C   LIG    1        1.625  -1.665  -1.349  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        2.787  -1.407  -2.304  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        1.605  -3.103  -0.834  0.00  0.00    +0.014 C 
ENDBRANCH   2  26
BRANCH   1  29
ATOM     29  C   LIG    1        3.850  -0.876   0.861  0.00  0.00    +0.239 C 
BRANCH  29  33
ATOM     30  C   LIG    1        5.826   2.356   0.691  0.00  0.00    +0.128 C 
ATOM     31  N   LIG    1        4.962   1.280   1.099  0.00  0.00    -0.317 N 
ATOM     32  H   LIG    1        4.128   1.516   1.641  0.00  0.00    +0.148 HD
ATOM     33  C   LIG    1        4.896   0.104   0.377  0.00  0.00    +0.234 C 
ATOM     34  O   LIG    1        5.649  -0.155  -0.559  0.00  0.00    -0.274 OA
ENDBRANCH  29  33
ENDBRANCH   1  29
TORSDOF 5