REMARK  Name = BDB001094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.780  -0.540  -1.821  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.479  -0.932  -1.342  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.627  -0.227  -1.725  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.527   0.847  -2.604  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        2.619   1.514  -3.005  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        0.283   1.254  -3.075  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -0.868   0.569  -2.680  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.936  -0.692  -1.244  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        3.667   0.104  -0.369  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        5.064  -0.260  -0.121  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        5.537   0.145   1.285  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1        5.267   1.560   1.596  0.00  0.00    -0.313 NA
ATOM     13  H   LIG    1        5.535   1.745   2.562  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        3.832   1.832   1.429  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1        3.308   1.472   0.025  0.00  0.00    +0.123 C 
ATOM     16  O   LIG    1        3.293  -1.810  -1.613  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  17
ATOM     17  C   LIG    1       -2.026  -1.274  -1.391  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.614  -0.509  -0.340  0.00  0.00    -0.487 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -4.373  -0.164   1.232  0.00  0.00    +0.078 A 
ATOM     20  C   LIG    1       -3.786  -0.953   0.217  0.00  0.00    +0.136 A 
ATOM     21  C   LIG    1       -4.418  -2.143  -0.171  0.00  0.00    +0.084 A 
ATOM     22  C   LIG    1       -5.608  -2.536   0.436  0.00  0.00    +0.127 A 
ATOM     23  F   LIG    1       -6.194  -3.676   0.049  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -6.194  -1.772   1.432  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -5.577  -0.588   1.829  0.00  0.00    +0.019 A 
BRANCH  19  29
ATOM     26  N   LIG    1       -2.643   1.590   1.215  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -2.271   2.463   1.560  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -2.151   1.087   0.486  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1       -3.810   1.127   1.746  0.00  0.00    +0.245 C 
ATOM     30  O   LIG    1       -4.376   1.769   2.625  0.00  0.00    -0.270 OA
ENDBRANCH  19  29
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5