REMARK  Name = BDB064960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.222   0.424  -0.542  0.00  0.00    -0.308 N 
ATOM      2  C   LIG    1        2.019   0.280   0.155  0.00  0.00    +0.259 A 
ATOM      3  O   LIG    1        1.626   1.077   1.004  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        1.190  -0.926  -0.206  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.629  -1.759  -1.167  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        2.885  -1.537  -1.859  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1        3.624  -0.467  -1.526  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.103  -1.186   0.450  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -1.164  -0.281   0.299  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.430  -0.479   0.896  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -2.574  -1.653   1.663  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.529  -2.566   1.827  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -0.297  -2.334   1.222  0.00  0.00    +0.009 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -3.612   0.592   0.683  0.00  0.00    +0.056 C 
ATOM     15  C   LIG    1       -4.800   0.628   1.704  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -4.678   2.162   1.800  0.00  0.00    -0.012 C 
ATOM     17  C   LIG    1       -5.725   2.975   1.056  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -3.284   2.055   1.151  0.00  0.00    +0.022 C 
BRANCH  14  19
ATOM     19  C   LIG    1       -4.112   0.520  -0.826  0.00  0.00    +0.144 A 
ATOM     20  N   LIG    1       -4.692  -0.543  -1.465  0.00  0.00    -0.320 N 
ATOM     21  C   LIG    1       -4.984  -1.846  -0.938  0.00  0.00    +0.151 C 
ATOM     22  C   LIG    1       -4.925  -0.133  -2.742  0.00  0.00    +0.224 A 
ATOM     23  N   LIG    1       -4.510   1.102  -2.890  0.00  0.00    -0.138 NA
ATOM     24  N   LIG    1       -3.988   1.511  -1.686  0.00  0.00    -0.134 NA
ENDBRANCH  14  19
ENDBRANCH  10  14
ENDBRANCH   4   8
BRANCH   6  25
ATOM     25  C   LIG    1        3.296  -2.527  -2.910  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1        2.388  -2.595  -3.917  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        4.489  -2.221  -3.482  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        3.414  -3.781  -2.404  0.00  0.00    -0.166 F 
ENDBRANCH   6  25
BRANCH   1  29
ATOM     29  C   LIG    1        4.089   1.551  -0.193  0.00  0.00    +0.183 C 
BRANCH  29  34
ATOM     30  C   LIG    1        8.820   0.676   1.215  0.00  0.00    +0.174 C 
ATOM     31  N   LIG    1        7.392   0.705   1.049  0.00  0.00    -0.254 N 
ATOM     32  N   LIG    1        6.609  -0.052   1.832  0.00  0.00    -0.066 NA
ATOM     33  N   LIG    1        5.352   0.177   1.477  0.00  0.00    -0.133 NA
ATOM     34  C   LIG    1        5.353   1.083   0.444  0.00  0.00    +0.102 A 
ATOM     35  C   LIG    1        6.659   1.429   0.160  0.00  0.00    +0.135 A 
ENDBRANCH  29  34
ENDBRANCH   1  29
TORSDOF 6