REMARK  Name = BDB031123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.122   1.264  -1.701  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1       -0.835   1.319  -1.320  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.030   0.288  -1.667  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -0.461  -0.800  -2.413  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -1.792  -0.836  -2.810  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.634   0.211  -2.449  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.338   0.430  -1.209  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        2.044  -0.486  -0.448  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        3.318   0.047  -0.261  0.00  0.00    +0.142 A 
ATOM     10  C   LIG    1        4.261  -0.727   0.479  0.00  0.00    +0.092 A 
ATOM     11  C   LIG    1        3.902  -1.925   0.995  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1        2.547  -2.432   0.801  0.00  0.00    +0.064 A 
ATOM     13  N   LIG    1        3.435   1.234  -0.811  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        1.658  -1.714   0.094  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1        2.212   1.489  -1.373  0.00  0.00    +0.141 A 
BRANCH  11  16
ATOM     16  O   LIG    1        4.675  -2.790   1.727  0.00  0.00    -0.406 OA
BRANCH  16  17
ATOM     17  C   LIG    1        6.021  -2.429   1.997  0.00  0.00    +0.575 C 
ATOM     18  F   LIG    1        6.078  -1.287   2.713  0.00  0.00    -0.133 F 
ATOM     19  F   LIG    1        6.597  -3.413   2.721  0.00  0.00    -0.133 F 
ATOM     20  F   LIG    1        6.718  -2.281   0.852  0.00  0.00    -0.133 F 
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  N   LIG    1       -2.928   2.335  -1.314  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1       -2.235   3.070  -1.145  0.00  0.00    +0.148 HD
BRANCH  21  25
ATOM     23  F   LIG    1       -3.205   2.832   2.192  0.00  0.00    -0.242 F 
ATOM     24  C   LIG    1       -2.764   2.001   1.201  0.00  0.00    +0.201 C 
ATOM     25  C   LIG    1       -3.663   2.187  -0.024  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -4.628   1.003   0.067  0.00  0.00    +0.106 C 
ATOM     27  N   LIG    1       -3.881  -0.106   0.690  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1       -3.308  -0.548  -0.030  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -2.974   0.555   1.649  0.00  0.00    +0.119 C 
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 5