REMARK  Name = BDB001039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.880   0.040  -0.076  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.075  -0.989   0.839  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.095  -1.847   0.705  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.206  -1.145   1.914  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.883  -0.281   2.058  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.123   0.732   1.116  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.223   0.893   0.051  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.236   0.169  -2.350  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.767   0.200  -1.240  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -3.135   0.392  -1.052  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -3.750   0.812   0.221  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -4.797  -0.192   0.762  0.00  0.00    +0.100 C 
ATOM     13  N   LIG    1       -5.113  -1.315  -0.128  0.00  0.00    -0.314 NA
ATOM     14  H   LIG    1       -4.216  -1.693  -0.450  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -5.895  -0.930  -1.304  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -5.469   0.352  -2.022  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1       -3.964   0.456  -2.259  0.00  0.00    +0.109 C 
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  C   LIG    1        2.311   1.658   1.254  0.00  0.00    +0.093 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.630   0.927   1.470  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1        4.314   0.268   0.328  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        5.510  -0.395   0.601  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        6.216  -1.045  -0.418  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        5.720  -1.034  -1.721  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.525  -0.373  -2.001  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.028  -0.404   1.978  0.00  0.00    +0.272 A 
ATOM     26  O   LIG    1        7.077  -0.971   2.265  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        5.271   0.257   2.913  0.00  0.00    -0.242 N 
ATOM     28  H   LIG    1        5.616   0.263   3.869  0.00  0.00    +0.192 HD
ATOM     29  C   LIG    1        3.821   0.278  -0.982  0.00  0.00    +0.010 A 
ATOM     30  N   LIG    1        4.101   0.908   2.684  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3