REMARK  Name = BDB006858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.565  -0.232   0.565  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.180   0.930   0.755  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        1.563   1.068   0.519  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.968   2.358   0.829  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1        3.284   2.704   0.653  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.199   1.829   0.184  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1        3.798   0.553  -0.102  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        0.850   3.188   1.351  0.00  0.00    +0.058 C 
ATOM      9  C   LIG    1        2.474   0.141   0.050  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -0.341   2.230   1.216  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -0.074  -1.293   0.178  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        4.864  -0.332  -0.607  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.927  -1.698  -0.289  0.00  0.00    +0.133 A 
ATOM     14  F   LIG    1        4.014  -2.253   0.522  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        5.941  -2.525  -0.777  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        6.932  -1.997  -1.601  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        6.901  -0.643  -1.923  0.00  0.00    +0.042 A 
ATOM     18 CL   LIG    1        8.125   0.019  -2.936  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        5.885   0.181  -1.433  0.00  0.00    +0.033 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     20  C   LIG    1       -2.070  -0.093   0.903  0.00  0.00    +0.181 C 
BRANCH  20  27
ATOM     21  C   LIG    1       -6.609  -0.321   0.834  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1       -5.386  -0.823   0.070  0.00  0.00    +0.065 C 
ATOM     23  N   LIG    1       -4.959   0.201  -0.901  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -4.637   1.014  -0.377  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -3.827  -0.316  -1.695  0.00  0.00    +0.096 C 
ATOM     26  C   LIG    1       -2.956  -1.387  -0.990  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1       -2.879  -1.256   0.478  0.00  0.00    -0.291 NA
ATOM     28  C   LIG    1       -4.242  -1.213   1.055  0.00  0.00    +0.103 C 
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 3