REMARK  Name = BDB064959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.633   1.545  -1.807  0.00  0.00    -0.310 N 
ATOM      2  C   LIG    1        1.335   1.453  -1.297  0.00  0.00    +0.259 A 
ATOM      3  O   LIG    1        0.414   0.885  -1.885  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        1.105   2.102   0.050  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.144   2.692   0.670  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        3.469   2.738   0.081  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1        3.662   2.170  -1.120  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.223   2.069   0.696  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -0.908   0.849   0.829  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.205   0.753   1.375  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -2.776   1.962   1.822  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.107   3.184   1.721  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -0.838   3.238   1.153  0.00  0.00    +0.009 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -3.028  -0.631   1.444  0.00  0.00    +0.056 C 
ATOM     15  C   LIG    1       -2.257  -2.000   1.430  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -2.240  -1.944   2.976  0.00  0.00    -0.012 C 
ATOM     17  C   LIG    1       -2.379  -3.266   3.702  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -3.514  -1.070   2.878  0.00  0.00    +0.022 C 
BRANCH  14  19
ATOM     19  C   LIG    1       -4.195  -0.605   0.376  0.00  0.00    +0.144 A 
ATOM     20  N   LIG    1       -4.078  -0.495  -0.984  0.00  0.00    -0.320 N 
ATOM     21  C   LIG    1       -2.879  -0.377  -1.768  0.00  0.00    +0.151 C 
ATOM     22  C   LIG    1       -5.349  -0.503  -1.471  0.00  0.00    +0.224 A 
ATOM     23  N   LIG    1       -6.200  -0.612  -0.479  0.00  0.00    -0.138 NA
ATOM     24  N   LIG    1       -5.474  -0.670   0.687  0.00  0.00    -0.134 NA
ENDBRANCH  14  19
ENDBRANCH  10  14
ENDBRANCH   4   8
BRANCH   6  25
ATOM     25  C   LIG    1        4.561   3.421   0.855  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1        4.260   4.722   1.101  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        5.751   3.412   0.200  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        4.769   2.830   2.058  0.00  0.00    -0.166 F 
ENDBRANCH   6  25
BRANCH   1  29
ATOM     29  C   LIG    1        2.918   0.913  -3.096  0.00  0.00    +0.163 C 
BRANCH  29  34
ATOM     30  C   LIG    1        3.726  -3.920  -1.979  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        3.877  -2.546  -2.392  0.00  0.00    -0.274 N 
ATOM     32  N   LIG    1        5.078  -2.107  -2.809  0.00  0.00    -0.180 NA
ATOM     33  C   LIG    1        4.859  -0.825  -3.106  0.00  0.00    +0.139 A 
ATOM     34  C   LIG    1        3.521  -0.431  -2.877  0.00  0.00    +0.010 A 
ATOM     35  C   LIG    1        2.912  -1.584  -2.418  0.00  0.00    +0.113 A 
ENDBRANCH  29  34
ENDBRANCH   1  29
TORSDOF 6