REMARK  Name = BDB025515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.988  -0.372  -1.248  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.974  -0.140  -0.306  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        0.385   0.151  -0.555  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1        0.784   0.222  -1.716  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1       -1.454  -0.234   0.976  0.00  0.00    -0.165 NA
ATOM      6  C   LIG    1       -2.749  -0.516   0.822  0.00  0.00    +0.094 A 
ATOM      7  C   LIG    1       -3.716  -0.738   1.939  0.00  0.00    +0.217 C 
ATOM      8  O   LIG    1       -5.092  -0.746   1.480  0.00  0.00    -0.373 OA
ATOM      9  C   LIG    1       -5.267  -1.541   0.291  0.00  0.00    +0.165 C 
ATOM     10  C   LIG    1       -4.529  -0.925  -0.914  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -3.128  -0.624  -0.530  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        1.232   0.382   0.692  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        2.690   0.024   0.446  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        3.659   1.028   0.263  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        4.998   0.655   0.079  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        5.367  -0.689   0.012  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.396  -1.669   0.157  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        4.746  -2.960   0.097  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1        3.350   2.388   0.412  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1        3.972   2.982  -0.132  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        1.948   2.751   0.283  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        3.067  -1.329   0.377  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        1.092   1.839   1.151  0.00  0.00    +0.036 C 
ENDBRANCH   3  12
BRANCH   1  24
ATOM     24  N   LIG    1       -1.794  -0.325  -2.583  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -0.849  -0.222  -2.968  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -2.487  -0.648  -3.251  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
TORSDOF 2