REMARK  Name = BDB028178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.635  -0.340   0.526  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -0.492   0.187  -0.124  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -1.778  -0.084   0.363  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.931  -0.877   1.497  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.285  -1.154   2.004  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.320  -0.594   1.296  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.262  -0.775   1.630  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.206   0.183   0.185  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.465  -1.843   3.001  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.813  -1.405   2.151  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.013   0.437  -0.275  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.468  -1.135   1.666  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        4.654   2.104  -1.001  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        3.724   1.056  -0.649  0.00  0.00    -0.273 N 
ATOM     15  N   LIG    1        4.103  -0.227  -0.767  0.00  0.00    -0.167 NA
ATOM     16  C   LIG    1        3.028  -0.936  -0.362  0.00  0.00    +0.173 A 
ATOM     17  C   LIG    1        1.964  -0.063   0.019  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        2.451   1.209  -0.190  0.00  0.00    +0.117 A 
BRANCH  16  19
ATOM     19  C   LIG    1        3.006  -2.442  -0.345  0.00  0.00    +0.437 C 
ATOM     20  F   LIG    1        1.865  -2.936  -0.901  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        3.055  -2.931   0.925  0.00  0.00    -0.164 F 
ATOM     22  F   LIG    1        4.039  -3.011  -1.021  0.00  0.00    -0.164 F 
ENDBRANCH  16  19
ENDBRANCH   1  17
BRANCH  11  23
ATOM     23  C   LIG    1       -2.873   1.312  -1.525  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.187   1.743  -2.018  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -4.746   0.902  -2.180  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -4.675   2.194  -1.240  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 4