REMARK  Name = BDB027054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.245  -0.546  -0.370  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.082  -0.081   1.069  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        0.250  -0.992   2.087  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.405  -0.561   3.405  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        0.221   0.782   3.727  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.128   1.693   2.732  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.284   1.265   1.413  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1        0.917  -2.380  -1.464  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1        1.020  -1.280  -0.907  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.341  -0.654  -0.780  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        2.746   0.718  -0.881  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.127   0.766  -0.641  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        4.846   1.974  -0.645  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        4.157   3.156  -0.918  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        2.796   3.137  -1.190  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1        4.547  -0.530  -0.431  0.00  0.00    -0.337 N 
ATOM     17  C   LIG    1        2.086   1.932  -1.180  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        3.491  -1.389  -0.548  0.00  0.00    +0.098 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.915  -0.953  -0.197  0.00  0.00    +0.235 C 
BRANCH  19  20
ATOM     20  C   LIG    1        6.316  -0.881   1.258  0.00  0.00    +0.407 C 
ATOM     21  F   LIG    1        5.525  -1.641   2.045  0.00  0.00    -0.169 F 
ATOM     22  F   LIG    1        6.300   0.382   1.735  0.00  0.00    -0.169 F 
ATOM     23  F   LIG    1        7.583  -1.341   1.407  0.00  0.00    -0.169 F 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  24
ATOM     24  N   LIG    1       -1.416  -1.459  -0.479  0.00  0.00    -0.303 NA
ATOM     25  H   LIG    1       -1.250  -2.085  -1.273  0.00  0.00    +0.123 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.673  -0.733  -0.653  0.00  0.00    +0.086 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.850  -1.716  -0.719  0.00  0.00    +0.050 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.165  -0.997  -0.906  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1       -5.693  -0.802  -2.189  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.900  -0.119  -2.360  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -7.580   0.374  -1.249  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -9.065   1.217  -1.461  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -7.064   0.191   0.032  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -5.858  -0.491   0.203  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 9