REMARK  Name = BDB064955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.773   1.206   1.014  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.264   0.295   0.745  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.514   0.342   1.401  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1       -1.677   1.374   2.349  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.662   2.288   2.636  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.559   2.201   1.974  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        4.072  -0.139  -0.421  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1        2.835  -0.185   0.231  0.00  0.00    +0.260 A 
ATOM      9  O   LIG    1        2.382  -1.216   0.723  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        2.062   1.110   0.298  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        2.558   2.187  -0.338  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        3.814   2.147  -1.062  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1        4.517   1.004  -1.075  0.00  0.00    +0.103 A 
BRANCH  12  14
ATOM     14  C   LIG    1        4.261   3.401  -1.763  0.00  0.00    +0.419 C 
ATOM     15  F   LIG    1        5.441   3.245  -2.414  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        3.352   3.801  -2.689  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        4.419   4.431  -0.894  0.00  0.00    -0.166 F 
ENDBRANCH  12  14
BRANCH   7  19
ATOM     18  C   LIG    1        4.613  -2.103  -1.829  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.848  -1.399  -0.491  0.00  0.00    +0.189 C 
BRANCH  19  20
ATOM     20  C   LIG    1        6.297  -1.207  -0.250  0.00  0.00    +0.087 C 
ATOM     21  N   LIG    1        7.434  -1.043  -0.083  0.00  0.00    -0.194 NA
ENDBRANCH  19  20
ENDBRANCH   7  19
ENDBRANCH   1  10
BRANCH   3  22
ATOM     22  C   LIG    1       -2.705  -0.701   1.107  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1       -2.367  -2.080   0.446  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -3.235  -2.802   1.495  0.00  0.00    -0.012 C 
ATOM     25  C   LIG    1       -4.600  -3.285   1.033  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -3.198  -1.522   2.352  0.00  0.00    +0.022 C 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.885   0.058   0.358  0.00  0.00    +0.144 A 
ATOM     28  N   LIG    1       -3.849   0.652  -0.875  0.00  0.00    -0.320 N 
ATOM     29  C   LIG    1       -2.743   0.743  -1.786  0.00  0.00    +0.151 C 
ATOM     30  C   LIG    1       -5.087   1.182  -1.074  0.00  0.00    +0.224 A 
ATOM     31  N   LIG    1       -5.841   0.942  -0.028  0.00  0.00    -0.138 NA
ATOM     32  N   LIG    1       -5.082   0.243   0.879  0.00  0.00    -0.134 NA
ENDBRANCH  22  27
ENDBRANCH   3  22
TORSDOF 6