REMARK  Name = BDB064224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.125   0.416   1.674  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.055   0.051   3.005  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.444   0.799   3.999  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.750  -1.110   3.327  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.287  -1.905   2.310  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -1.152  -1.533   0.962  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -0.431  -0.367   0.654  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.449   1.591   0.252  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        4.167   0.573   1.163  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1        4.844  -0.456   1.238  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        3.043   0.821   2.191  0.00  0.00    +0.204 C 
ATOM     12  N   LIG    1        2.118   1.888   1.810  0.00  0.00    -0.287 N 
ATOM     13  C   LIG    1        0.841   1.651   1.305  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1        0.270   2.426   0.539  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.800   3.094   1.367  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.585   2.772   0.098  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.468   1.364  -0.762  0.00  0.00    +0.134 C 
BRANCH  17  19
ATOM     18  C   LIG    1        3.710   0.262  -2.275  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        4.918   0.797  -2.044  0.00  0.00    -0.016 C 
ENDBRANCH  17  19
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1       -1.730  -2.410  -0.133  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.460  -1.673  -1.165  0.00  0.00    -0.289 N 
ATOM     22  C   LIG    1       -3.783  -1.183  -0.930  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -4.445  -0.474  -1.939  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1       -5.742   0.026  -1.755  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.398  -0.180  -0.546  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.759  -0.884   0.470  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.764  -0.251  -3.223  0.00  0.00    +0.262 A 
ATOM     28  O   LIG    1       -4.298   0.353  -4.146  0.00  0.00    -0.267 OA
ATOM     29  N   LIG    1       -2.502  -0.763  -3.328  0.00  0.00    -0.274 N 
ATOM     30  H   LIG    1       -2.020  -0.606  -4.199  0.00  0.00    +0.173 HD
ATOM     31  C   LIG    1       -4.463  -1.382   0.280  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -1.812  -1.450  -2.372  0.00  0.00    +0.330 A 
ATOM     33  O   LIG    1       -0.667  -1.829  -2.616  0.00  0.00    -0.246 OA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5