REMARK  Name = BDB025473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.058   1.285   1.154  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        2.792   2.057   1.238  0.00  0.00    +0.142 C 
ATOM      3  C   LIG    1        1.590   1.168   1.117  0.00  0.00    +0.083 A 
ATOM      4  N   LIG    1        0.366   1.621   0.859  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.424   0.498   0.780  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        0.311  -0.640   1.171  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -1.744   0.667   0.287  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -2.197   1.804   0.157  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.615  -0.225   1.311  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        2.871  -0.952   1.623  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1        4.014   0.040   1.944  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.489  -0.595  -0.124  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.990  -0.351  -0.252  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -4.604  -0.257  -1.515  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.994  -0.079  -1.586  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -6.758   0.071  -0.429  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -6.136   0.018   0.809  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -6.866   0.156   1.923  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -3.892  -0.488  -2.702  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -4.299   0.014  -3.488  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -2.448  -0.344  -2.619  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -4.767  -0.194   0.910  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -1.917  -1.146  -1.439  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  25
ATOM     24  C   LIG    1        6.083   0.709  -0.170  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        4.642   1.238  -0.196  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        3.844   0.499  -1.274  0.00  0.00    +0.024 C 
ENDBRANCH   1  25
BRANCH   6  27
ATOM     27  N   LIG    1       -0.180  -1.895   1.359  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1       -1.015  -1.998   1.936  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        0.492  -2.600   1.667  0.00  0.00    +0.144 HD
ENDBRANCH   6  27
TORSDOF 3