REMARK  Name = BDB057056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.722   1.473   0.719  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        2.075   1.135   0.600  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.312  -0.177   0.259  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.587  -0.825   0.516  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.957   1.965   0.806  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.194  -0.212   0.276  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1       -2.632   0.442  -0.908  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.498   1.385  -0.505  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.414   0.627   0.274  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.034  -0.130   1.455  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.195  -1.009   0.992  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.427  -0.959  -0.011  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -5.645  -2.838  -1.170  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -4.299  -2.158  -0.960  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        3.547  -0.755  -0.105  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        3.611  -2.153  -0.159  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        4.796  -2.813  -0.533  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1        5.927  -2.049  -0.847  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        5.867  -0.657  -0.805  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.681  -0.014  -0.441  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.854  -4.319  -0.559  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1        5.762  -4.810  -1.447  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        5.189  -4.846   0.651  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        3.661  -4.889  -0.895  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1        0.431   2.775   1.339  0.00  0.00    +0.137 C 
BRANCH  25  26
ATOM     26  C   LIG    1        0.586   3.964   0.381  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  O   LIG    1        0.090   5.175   0.960  0.00  0.00    -0.381 OA
ATOM     28  C   LIG    1       -1.314   5.333   0.804  0.00  0.00    +0.194 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8