REMARK  Name = BDB020849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.912   0.012   0.135  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -1.383  -1.245   0.563  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.042  -1.471   0.362  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.204  -2.708   0.883  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.910  -3.229   1.342  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.815  -0.550  -0.254  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.331   0.597  -0.645  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.913  -2.309   1.135  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.012   0.843  -0.441  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  16
ATOM     10  C   LIG    1       -5.841   0.857   2.865  0.00  0.00    +0.042 C 
ATOM     11  C   LIG    1       -5.551   0.360   1.454  0.00  0.00    +0.139 C 
ATOM     12  O   LIG    1       -5.946   1.402   0.550  0.00  0.00    -0.370 OA
ATOM     13  C   LIG    1       -5.481   1.158  -0.780  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1       -6.119   2.190  -1.699  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1       -3.950   1.271  -0.800  0.00  0.00    +0.067 C 
ATOM     16  C   LIG    1       -3.323   0.405   0.273  0.00  0.00    -0.034 C 
ATOM     17  C   LIG    1       -4.098  -0.011   1.294  0.00  0.00    +0.008 C 
ENDBRANCH   1  16
BRANCH   6  18
ATOM     18  N   LIG    1        2.144  -0.880  -0.423  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        2.380  -1.865  -0.471  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.019  -0.056  -1.241  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.442  -0.487  -1.036  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        5.139  -0.214   0.138  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.689   0.459   1.381  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        6.045   0.648   2.063  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.979  -0.320   1.532  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.444  -0.653   0.315  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        7.115  -1.378  -0.649  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        6.440  -1.658  -1.837  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        5.123  -1.215  -2.019  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        4.500  -1.522  -3.166  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4