REMARK  Name = BDB042654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.204  -2.131   0.064  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.433  -2.351  -0.829  0.00  0.00    +0.054 C 
BRANCH   2  11
ATOM      3  O   LIG    1        4.351   1.720  -2.321  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        4.416   0.790  -1.526  0.00  0.00    +0.258 A 
ATOM      5  C   LIG    1        5.482   0.712  -0.509  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1        5.501  -0.374   0.358  0.00  0.00    +0.078 A 
ATOM      7  N   LIG    1        6.439  -0.538   1.322  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1        7.386   0.424   1.415  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        7.442   1.541   0.592  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.479  -1.412   0.260  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        3.512  -1.312  -0.665  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        6.469   1.688  -0.393  0.00  0.00    +0.017 A 
ATOM     13  N   LIG    1        3.499  -0.241  -1.533  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1        2.784  -0.171  -2.248  0.00  0.00    +0.169 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.451  -0.829  -0.248  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -0.763  -0.698   0.568  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -1.879  -1.553   0.103  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -3.022  -0.835  -0.657  0.00  0.00    +0.120 C 
ATOM     19  N   LIG    1       -3.570   0.284   0.126  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1       -2.652   0.914   1.090  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -1.183   0.718   0.653  0.00  0.00    +0.103 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.872   0.725  -0.035  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1       -5.519   1.495   0.943  0.00  0.00    +0.061 A 
ATOM     24  C   LIG    1       -6.832   1.934   0.772  0.00  0.00    +0.125 A 
ATOM     25  F   LIG    1       -7.412   2.663   1.736  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -7.550   1.628  -0.373  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -6.940   0.868  -1.361  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.621   0.425  -1.189  0.00  0.00    +0.023 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5