REMARK  Name = BDB025468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.681  -1.487  -1.247  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.768  -0.640  -0.605  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        0.631  -0.803  -0.496  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1        1.166  -1.778  -1.021  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1       -1.396   0.452  -0.061  0.00  0.00    -0.166 NA
ATOM      6  C   LIG    1       -2.676   0.305  -0.413  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -3.763   1.261  -0.026  0.00  0.00    +0.138 C 
ATOM      8  N   LIG    1       -4.975   1.030  -0.847  0.00  0.00    -0.310 NA
ATOM      9  H   LIG    1       -5.744   1.557  -0.435  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -5.334  -0.401  -0.908  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1       -4.260  -1.256  -1.622  0.00  0.00    +0.055 C 
ATOM     12  C   LIG    1       -2.907  -0.883  -1.139  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        1.341   0.281   0.305  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1        2.795   0.486  -0.116  0.00  0.00    -0.012 A 
ATOM     15  C   LIG    1        3.803   0.656   0.855  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        5.136   0.805   0.441  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.462   0.879  -0.913  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        4.455   0.783  -1.860  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1        4.760   0.870  -3.161  0.00  0.00    -0.205 F 
ATOM     20  N   LIG    1        3.533   0.551   2.227  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1        4.205   1.064   2.792  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1        2.152   0.785   2.617  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1        3.132   0.593  -1.478  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        1.235  -0.095   1.790  0.00  0.00    +0.036 C 
ENDBRANCH   3  13
BRANCH   1  25
ATOM     25  N   LIG    1       -1.336  -2.656  -1.833  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -1.944  -3.104  -2.513  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -0.343  -2.882  -1.960  0.00  0.00    +0.144 HD
ENDBRANCH   1  25
TORSDOF 2