REMARK  Name = BDB042475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.622  -2.594  -0.559  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -4.768   1.347  -2.279  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -5.159   0.970  -0.874  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -4.500  -0.052  -0.154  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -4.918  -0.353   1.159  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -4.223  -1.426   1.912  0.00  0.00    +0.259 A 
ATOM      7  N   LIG    1       -3.190  -2.060   1.258  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -2.732  -2.787   1.797  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -2.768  -1.776  -0.017  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -4.528  -1.753   3.053  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -5.972   0.350   1.739  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1       -6.395   0.089   2.984  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -6.623   1.355   1.032  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -3.382  -0.819  -0.730  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -6.220   1.664  -0.266  0.00  0.00    +0.007 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.282  -2.357   0.151  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.212  -0.908   0.023  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.527  -0.726   0.652  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1        1.746   0.700   0.993  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        3.232   1.091   1.145  0.00  0.00    +0.123 C 
ATOM     21  N   LIG    1        3.931   0.871  -0.120  0.00  0.00    -0.297 N 
ATOM     22  C   LIG    1        3.456  -0.215  -0.975  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1        2.646  -1.256  -0.163  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.245   1.274  -0.210  0.00  0.00    +0.218 A 
ATOM     25  N   LIG    1        5.953   0.946  -1.305  0.00  0.00    -0.223 NA
ATOM     26  C   LIG    1        7.229   1.371  -1.381  0.00  0.00    +0.116 A 
ATOM     27  C   LIG    1        7.838   2.118  -0.407  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        7.047   2.412   0.671  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        5.767   2.009   0.788  0.00  0.00    -0.223 NA
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5