REMARK  Name = BDB065313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.348   0.405   0.015  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.356   1.738  -0.379  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.386   2.247  -1.068  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.695   2.574  -0.021  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.769   2.067   0.716  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.808   0.712   1.089  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.728  -0.116   0.745  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.228  -2.844  -0.751  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -3.511  -1.734   0.269  0.00  0.00    +0.104 C 
ATOM     10  N   LIG    1       -2.355  -0.885   0.612  0.00  0.00    -0.290 N 
ATOM     11  C   LIG    1       -1.449  -0.485  -0.378  0.00  0.00    +0.250 C 
ATOM     12  O   LIG    1       -1.438  -0.878  -1.539  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -2.631  -0.027   1.766  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1       -3.706   1.002   1.405  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -4.852   0.409   0.608  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -6.006   1.188   0.413  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -7.064   0.700  -0.348  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -6.968  -0.561  -0.918  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1       -7.991  -1.035  -1.642  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -5.833  -1.347  -0.745  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1       -4.747  -0.873   0.009  0.00  0.00    -0.021 A 
ENDBRANCH   1  11
BRANCH   6  22
ATOM     22  C   LIG    1        2.968   0.152   1.882  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.334   0.556   1.341  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1        4.875  -0.093   0.119  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        6.125   0.332  -0.325  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        6.705  -0.227  -1.471  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        6.026  -1.218  -2.177  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.774  -1.648  -1.738  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.836   1.380   0.424  0.00  0.00    +0.272 A 
ATOM     30  O   LIG    1        7.939   1.783   0.073  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        6.192   1.873   1.532  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1        6.670   2.596   2.062  0.00  0.00    +0.192 HD
ATOM     33  C   LIG    1        4.198  -1.091  -0.593  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1        4.974   1.484   1.992  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 3