REMARK  Name = BDB031091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.804   0.398   1.076  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1        0.676   1.109   0.899  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.481   0.588   1.367  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -0.555  -0.624   2.039  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.618  -1.343   2.222  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.815  -0.825   1.734  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.642   1.427   1.139  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1       -2.822   1.043   0.525  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1       -3.664   2.152   0.554  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1       -4.964   1.994   0.005  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -5.327   0.817  -0.537  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -4.421  -0.339  -0.596  0.00  0.00    -0.028 A 
ATOM     13  N   LIG    1       -3.080   3.199   1.093  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1       -3.194  -0.173  -0.055  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1       -1.825   2.767   1.431  0.00  0.00    +0.141 A 
BRANCH  12  16
ATOM     16  C   LIG    1       -4.854  -1.606  -1.224  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -5.772  -1.626  -2.418  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -6.266  -2.112  -1.083  0.00  0.00    +0.009 C 
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1        2.959   1.000   0.574  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        2.591   1.859   0.160  0.00  0.00    +0.148 HD
BRANCH  19  22
ATOM     21  C   LIG    1        4.987  -0.369   0.281  0.00  0.00    +0.090 C 
ATOM     22  C   LIG    1        3.721   0.186  -0.387  0.00  0.00    +0.095 C 
ATOM     23  C   LIG    1        4.271   1.075  -1.532  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1        5.722   0.853  -1.569  0.00  0.00    -0.314 NA
ATOM     25  H   LIG    1        6.201   1.691  -1.901  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1        6.088   0.569  -0.181  0.00  0.00    +0.092 C 
BRANCH  21  28
ATOM     27  F   LIG    1        4.238  -2.594   0.204  0.00  0.00    -0.209 F 
ATOM     28  C   LIG    1        5.258  -1.785  -0.190  0.00  0.00    +0.347 C 
ATOM     29  F   LIG    1        6.370  -2.262   0.430  0.00  0.00    -0.209 F 
ENDBRANCH  21  28
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 5