REMARK  Name = BDB042657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.208  -0.637   2.656  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.954  -1.657   1.783  0.00  0.00    +0.054 C 
BRANCH   2  11
ATOM      3  O   LIG    1       -2.338   0.498  -2.407  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -2.931   0.028  -1.442  0.00  0.00    +0.258 A 
ATOM      5  C   LIG    1       -4.403   0.069  -1.342  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -5.014  -0.454  -0.207  0.00  0.00    +0.078 A 
ATOM      7  N   LIG    1       -6.356  -0.458  -0.020  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1       -7.106   0.080  -1.010  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -6.580   0.624  -2.175  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -4.207  -1.036   0.864  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -2.871  -1.061   0.747  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -5.199   0.619  -2.345  0.00  0.00    +0.017 A 
ATOM     13  N   LIG    1       -2.271  -0.559  -0.387  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -1.252  -0.568  -0.437  0.00  0.00    +0.169 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.392   0.437   1.915  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1        0.446  -0.072   0.817  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1        1.576  -0.911   1.277  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1        2.982  -0.262   1.224  0.00  0.00    +0.120 C 
ATOM     19  N   LIG    1        3.283   0.254  -0.121  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1        2.127   0.688  -0.927  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        0.933   1.055  -0.017  0.00  0.00    +0.103 C 
BRANCH  19  22
ATOM     22  C   LIG    1        4.580   0.385  -0.588  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        4.866   0.532  -1.949  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        6.181   0.655  -2.371  0.00  0.00    +0.215 A 
ATOM     25  F   LIG    1        6.416   0.787  -3.685  0.00  0.00    -0.184 F 
ATOM     26  N   LIG    1        7.246   0.648  -1.550  0.00  0.00    -0.228 NA
ATOM     27  C   LIG    1        6.971   0.507  -0.242  0.00  0.00    +0.115 A 
ATOM     28  C   LIG    1        5.685   0.373   0.271  0.00  0.00    +0.043 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5