REMARK  Name = BDB048853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.223   0.999  -0.112  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.525   1.791   0.003  0.00  0.00    +0.075 C 
BRANCH   2  11
ATOM      3  O   LIG    1       -4.802   0.115  -3.766  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -4.748   0.187  -2.545  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1       -5.733  -0.473  -1.672  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -5.572  -0.323  -0.292  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -6.493  -0.939   0.557  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -7.551  -1.689   0.035  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -7.699  -1.829  -1.345  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1       -4.520   0.422   0.271  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1       -3.683   0.987  -0.536  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1       -6.787  -1.220  -2.207  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1       -3.763   0.889  -1.898  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1       -3.083   1.338  -2.495  0.00  0.00    +0.170 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.056   1.766   0.521  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.245   1.123   0.281  0.00  0.00    -0.298 NA
ATOM     17  C   LIG    1        2.341   2.002   0.724  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1        3.715   1.428   0.331  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        3.835  -0.041   0.649  0.00  0.00    -0.042 C 
ATOM     20  C   LIG    1        2.739  -0.759   0.950  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1        1.348  -0.187   0.946  0.00  0.00    +0.112 C 
BRANCH  19  22
ATOM     22  C   LIG    1        5.171  -0.661   0.648  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1        5.423  -1.799  -0.136  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        6.688  -2.389  -0.148  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        7.705  -1.842   0.624  0.00  0.00    +0.123 A 
ATOM     26  F   LIG    1        8.919  -2.407   0.614  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        7.481  -0.717   1.407  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        6.215  -0.126   1.418  0.00  0.00    +0.011 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5