REMARK  Name = BDB009313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.134   0.592   2.572  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.097  -0.678   3.090  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.317  -1.044   3.507  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.946  -1.593   3.191  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.232  -1.235   2.777  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.483   0.044   2.254  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.424   0.963   2.173  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  15
ATOM      8  C   LIG    1        5.417  -1.649  -1.190  0.00  0.00    +0.133 C 
ATOM      9  N   LIG    1        5.623  -0.270  -1.606  0.00  0.00    -0.292 N 
ATOM     10  C   LIG    1        5.636   0.702  -0.608  0.00  0.00    +0.304 C 
ATOM     11  N   LIG    1        4.468   0.827   0.130  0.00  0.00    -0.283 N 
ATOM     12  C   LIG    1        3.139   0.512  -0.408  0.00  0.00    +0.128 C 
ATOM     13  C   LIG    1        2.125   0.241   0.710  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1        2.046   1.336   1.686  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1        0.948   1.589   2.499  0.00  0.00    +0.249 C 
ATOM     16  O   LIG    1        0.807   2.622   3.149  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        3.131   2.321   1.655  0.00  0.00    +0.127 C 
ATOM     18  C   LIG    1        4.492   1.701   1.311  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1        6.621   1.411  -0.409  0.00  0.00    -0.252 OA
ATOM     20  C   LIG    1        6.612  -0.103  -2.656  0.00  0.00    +0.133 C 
ENDBRANCH   1  15
BRANCH   6  21
ATOM     21  C   LIG    1       -3.878   0.442   1.823  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.961   0.822   0.345  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.279  -0.227  -0.674  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -4.504  -1.657  -0.271  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -4.513  -2.631  -1.453  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.304  -2.068  -2.627  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -4.714  -0.736  -3.094  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -4.357   0.178  -1.954  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -4.098   1.598  -2.304  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -4.133   1.994  -3.464  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -3.813   2.429  -1.255  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -3.637   3.405  -1.470  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -3.745   2.070   0.053  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 3