REMARK  Name = BDB064241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.297   0.583  -0.213  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.266   1.496   0.835  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.113   2.535   0.872  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.645   1.341   1.874  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.554   0.279   1.850  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        1.572  -0.625   0.774  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        0.627  -0.470  -0.252  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.724   0.836  -2.464  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.226   0.741  -1.345  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1       -2.599   0.728  -1.131  0.00  0.00    -0.287 N 
ATOM     11  C   LIG    1       -3.259   0.571   0.171  0.00  0.00    +0.131 C 
ATOM     12  C   LIG    1       -4.561  -0.204   0.002  0.00  0.00    +0.093 C 
ATOM     13  N   LIG    1       -5.436   0.429  -0.964  0.00  0.00    -0.296 N 
ATOM     14  C   LIG    1       -6.830   0.356  -0.577  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -6.823  -0.520   0.671  0.00  0.00    +0.021 C 
ATOM     16  C   LIG    1       -4.980   1.033  -2.110  0.00  0.00    +0.233 C 
ATOM     17  O   LIG    1       -5.744   1.484  -2.963  0.00  0.00    -0.274 OA
ATOM     18  C   LIG    1       -5.428  -0.292   1.255  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -3.449   1.102  -2.275  0.00  0.00    +0.204 C 
ENDBRANCH   1   9
BRANCH   6  20
ATOM     20  C   LIG    1        2.565  -1.771   0.726  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.955  -1.357   0.927  0.00  0.00    -0.289 N 
ATOM     22  C   LIG    1        4.703  -0.736  -0.121  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        6.025  -0.339   0.116  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        6.797   0.280  -0.877  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.249   0.512  -2.134  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.938   0.124  -2.393  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.617  -0.578   1.440  0.00  0.00    +0.262 A 
ATOM     28  O   LIG    1        7.763  -0.239   1.712  0.00  0.00    -0.267 OA
ATOM     29  N   LIG    1        5.812  -1.199   2.353  0.00  0.00    -0.274 N 
ATOM     30  H   LIG    1        6.204  -1.357   3.268  0.00  0.00    +0.173 HD
ATOM     31  C   LIG    1        4.172  -0.496  -1.397  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1        4.513  -1.578   2.178  0.00  0.00    +0.330 A 
ATOM     33  O   LIG    1        3.904  -2.078   3.123  0.00  0.00    -0.246 OA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 3