REMARK  Name = BDB025486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.874   0.655  -0.900  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1       -1.473   0.278  -0.594  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1       -1.382  -0.919   0.288  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -2.429  -1.806   0.477  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.958  -2.749   1.388  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -0.707  -2.513   1.740  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1       -3.754  -1.632  -0.173  0.00  0.00    +0.056 C 
ATOM      8  N   LIG    1       -0.312  -1.399   1.045  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1        1.042  -0.997   1.221  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        1.738  -1.574   2.055  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.667  -0.546  -1.270  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.555   0.140   0.366  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        2.972  -0.079  -0.161  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        3.867   1.008  -0.248  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        5.168   0.786  -0.727  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        5.557  -0.469  -1.192  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.650  -1.516  -1.159  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        5.014  -2.720  -1.619  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1        3.545   2.273   0.255  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1        4.065   3.024  -0.193  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        2.139   2.565   0.465  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        3.368  -1.335  -0.655  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        1.485   1.418   1.214  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   5  24
ATOM     24  N   LIG    1       -2.672  -3.774   1.864  0.00  0.00    -0.341 N 
ATOM     25  H   LIG    1       -3.441  -4.157   1.330  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -2.138  -4.482   2.358  0.00  0.00    +0.144 HD
ENDBRANCH   5  24
BRANCH   1  28
ATOM     27  C   LIG    1       -3.007   2.844   0.282  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -3.525   1.412   0.182  0.00  0.00    +0.081 C 
ENDBRANCH   1  28
TORSDOF 3