REMARK  Name = BDB054794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.412  -1.365   0.834  0.00  0.00    +0.087 A 
ATOM      2  C   LIG    1       -1.442  -0.398   0.312  0.00  0.00    +0.059 A 
ATOM      3  N   LIG    1       -1.472   0.938   0.705  0.00  0.00    -0.342 N 
ATOM      4  H   LIG    1       -1.102   1.110   1.635  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.623   1.776   0.379  0.00  0.00    +0.102 C 
ATOM      6  C   LIG    1       -3.095   1.462  -1.037  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -3.384  -0.035  -1.202  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.329  -0.897  -0.564  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -2.315  -2.334  -0.914  0.00  0.00    +0.270 A 
ATOM     10  O   LIG    1       -3.124  -2.816  -1.701  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -1.365  -3.096  -0.287  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -1.334  -4.082  -0.522  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -0.399  -2.636   0.553  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        0.716  -0.852   1.719  0.00  0.00    +0.094 C 
BRANCH  14  20
ATOM     15  C   LIG    1        3.168   1.351  -0.222  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        4.136   0.398  -0.564  0.00  0.00    +0.144 A 
ATOM     17  F   LIG    1        5.223   0.777  -1.256  0.00  0.00    -0.204 F 
ATOM     18  C   LIG    1        3.987  -0.944  -0.230  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        2.871  -1.349   0.499  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        1.916  -0.409   0.914  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1        2.082   0.940   0.556  0.00  0.00    +0.029 A 
BRANCH  15  22
ATOM     22  N   LIG    1        3.381   2.720  -0.467  0.00  0.00    -0.356 N 
ATOM     23  H   LIG    1        4.040   2.872  -1.229  0.00  0.00    +0.142 HD
ATOM     24  H   LIG    1        2.526   3.254  -0.575  0.00  0.00    +0.142 HD
ENDBRANCH  15  22
ENDBRANCH  14  20
ENDBRANCH   1  14
TORSDOF 3