REMARK  Name = BDB042666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.262   0.813   0.079  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.545   1.651   0.101  0.00  0.00    +0.054 C 
BRANCH   2  11
ATOM      3  O   LIG    1       -5.240  -0.822  -2.913  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -5.088  -0.432  -1.762  0.00  0.00    +0.258 A 
ATOM      5  C   LIG    1       -6.054  -0.764  -0.697  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -5.825  -0.285   0.588  0.00  0.00    +0.078 A 
ATOM      7  N   LIG    1       -6.654  -0.532   1.631  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1       -7.747  -1.288   1.370  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -8.052  -1.807   0.119  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -4.647   0.528   0.871  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -3.777   0.809  -0.113  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -7.187  -1.539  -0.938  0.00  0.00    +0.017 A 
ATOM     13  N   LIG    1       -4.009   0.342  -1.388  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -3.358   0.559  -2.135  0.00  0.00    +0.169 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.028   1.698   0.301  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.219   0.928   0.429  0.00  0.00    -0.298 NA
ATOM     17  C   LIG    1        2.327   1.806   0.839  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1        3.591   0.988   1.151  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        3.913  -0.004   0.060  0.00  0.00    -0.042 C 
ATOM     20  C   LIG    1        2.965  -0.340  -0.834  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1        1.566   0.215  -0.812  0.00  0.00    +0.112 C 
BRANCH  19  22
ATOM     22  C   LIG    1        5.269  -0.588   0.016  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1        5.963  -0.710  -1.200  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        7.253  -1.247  -1.236  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        7.855  -1.660  -0.056  0.00  0.00    +0.123 A 
ATOM     26  F   LIG    1        9.092  -2.174  -0.090  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        7.194  -1.546   1.160  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        5.905  -1.008   1.196  0.00  0.00    +0.011 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5