REMARK  Name = BDB028218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.602   0.828   1.474  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.671  -0.244   1.039  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.128  -1.555   1.124  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.306  -2.618   0.739  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.020  -2.363   0.257  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.463  -1.048   0.148  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.492  -1.811   1.612  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.932  -2.951   1.709  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.234  -0.703   1.944  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.179  -0.860   2.280  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.382   0.006   0.547  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -3.813   0.589   1.888  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.810  -0.777  -0.377  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.032   0.151  -1.405  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        3.325   0.387  -1.891  0.00  0.00    +0.073 A 
ATOM     16  C   LIG    1        4.369  -0.315  -1.310  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1        4.207  -1.217  -0.318  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        2.941  -1.425   0.120  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  C   LIG    1        3.599   1.386  -2.971  0.00  0.00    +0.419 C 
ATOM     20  F   LIG    1        3.833   2.632  -2.475  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        4.687   1.074  -3.728  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        2.565   1.521  -3.847  0.00  0.00    -0.166 F 
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  23
ATOM     23  C   LIG    1       -2.153   2.286   1.439  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.176   2.766   0.055  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -1.989   3.769   0.055  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -3.133   2.674  -0.296  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 4