REMARK  Name = BDB042788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.459  -0.596  -0.077  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -1.529   0.249   0.679  0.00  0.00    +0.091 C 
ATOM      3  C   LIG    1       -2.926  -0.411   0.673  0.00  0.00    +0.055 C 
ATOM      4  N   LIG    1       -3.953   0.311   0.963  0.00  0.00    -0.279 NA
ATOM      5  C   LIG    1       -5.316  -0.214   1.006  0.00  0.00    +0.221 C 
ATOM      6  C   LIG    1       -5.478  -1.645   0.560  0.00  0.00    +0.185 C 
ATOM      7  C   LIG    1       -4.271  -2.451   0.337  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -4.384  -3.823   0.098  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -3.229  -4.571  -0.062  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -3.319  -5.891  -0.264  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.974  -3.972  -0.005  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -1.854  -2.588   0.180  0.00  0.00    +0.040 A 
ATOM     13  O   LIG    1       -6.583  -2.161   0.408  0.00  0.00    -0.290 OA
ATOM     14  C   LIG    1       -3.019  -1.845   0.383  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1       -0.579  -2.024   0.298  0.00  0.00    -0.339 N 
ATOM     16  H   LIG    1        0.122  -2.615  -0.146  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -1.651   1.683   0.168  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -1.509   2.757   1.060  0.00  0.00    +0.130 A 
ATOM     19  F   LIG    1       -1.208   2.522   2.345  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -1.645   4.075   0.642  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1       -1.941   4.329  -0.688  0.00  0.00    +0.126 A 
ATOM     22  F   LIG    1       -2.074   5.595  -1.105  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -2.104   3.290  -1.599  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -1.967   1.967  -1.173  0.00  0.00    +0.010 A 
ENDBRANCH   2  17
BRANCH   1  27
ATOM     25  N   LIG    1        3.031  -0.052  -1.069  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1        2.061  -1.008  -0.525  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1        1.007  -0.178   0.238  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1        1.409   1.258  -0.085  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        2.912   1.168  -0.276  0.00  0.00    +0.085 C 
BRANCH  25  30
ATOM     30  C   LIG    1        4.395  -0.597  -1.124  0.00  0.00    +0.112 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.428   0.345  -1.778  0.00  0.00    +0.174 C 
BRANCH  31  33
ATOM     32  C   LIG    1        6.845   1.008   0.018  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1        5.852   1.406  -0.917  0.00  0.00    -0.382 OA
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH   1  27
TORSDOF 5