REMARK  Name = BDB021791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.842   1.757   0.874  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.029   1.455   1.560  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.384   0.127   1.553  0.00  0.00    -0.266 N 
ATOM      4  H   LIG    1       -1.661  -0.545   1.356  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -2.688   2.330   2.116  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        2.508  -0.445  -0.821  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        1.805  -0.973   0.364  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        0.998   0.102   1.092  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.006   0.767   0.148  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        0.745   1.300  -1.074  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        1.548   0.185  -1.748  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        3.335  -1.500  -1.478  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        3.975  -1.028  -2.798  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        4.485  -1.990  -0.549  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        4.417  -4.490  -1.015  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        4.262  -3.393   0.029  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -3.578  -0.464   2.029  0.00  0.00    +0.077 A 
ATOM     18  C   LIG    1       -3.615  -1.876   2.096  0.00  0.00    +0.151 A 
ATOM     19  C   LIG    1       -4.772  -2.518   2.550  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -5.888  -1.768   2.925  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.856  -0.379   2.848  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.706   0.272   2.398  0.00  0.00    +0.027 A 
BRANCH  18  23
ATOM     23  O   LIG    1       -2.461  -2.507   1.700  0.00  0.00    -0.404 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.466  -3.923   1.650  0.00  0.00    +0.575 C 
ATOM     25  F   LIG    1       -2.642  -4.454   2.877  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1       -3.418  -4.380   0.811  0.00  0.00    -0.133 F 
ATOM     27  F   LIG    1       -1.264  -4.333   1.184  0.00  0.00    -0.133 F 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH   3  17
BRANCH   1  28
ATOM     28  C   LIG    1       -0.341   3.133   1.022  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.651   4.038  -0.152  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        0.356   4.854  -0.694  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        0.083   5.710  -1.762  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.203   5.773  -2.294  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.217   4.985  -1.755  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.944   4.128  -0.687  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 9