REMARK  Name = BDB004025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.346   0.846   0.590  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.961   0.927   0.280  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1        1.627   2.065   0.569  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.980   3.136   1.160  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1        1.620   4.274   1.462  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1       -0.351   2.976   1.439  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1       -1.030   1.846   1.166  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -0.944  -0.369   0.268  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -0.243  -0.979  -0.128  0.00  0.00    +0.155 HD
BRANCH   8  13
ATOM     10  C   LIG    1       -4.804  -2.063   0.626  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -3.742  -2.791   0.086  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -2.474  -2.206  -0.020  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -2.234  -0.889   0.407  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -3.311  -0.175   0.944  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -4.583  -0.752   1.055  0.00  0.00    +0.017 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -7.137  -2.060   1.222  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -6.166  -2.632   0.763  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -6.249  -3.898   0.316  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -7.188  -4.136   0.467  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  N   LIG    1        2.998   2.213   0.241  0.00  0.00    -0.296 N 
ATOM     21  H   LIG    1        3.490   2.718   0.977  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.859   1.322  -0.440  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1        5.243   1.323  -0.166  0.00  0.00    +0.062 A 
ATOM     24 CL   LIG    1        5.896   2.369   1.050  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        6.123   0.480  -0.851  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.637  -0.373  -1.839  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.278  -0.376  -2.142  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.401   0.469  -1.454  0.00  0.00    +0.025 A 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 6