REMARK  Name = BDB008502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.234   0.195   0.814  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.060   0.586   2.137  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.013   1.340   2.503  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.974   0.197   3.110  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.084  -0.573   2.752  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.299  -0.942   1.413  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.355  -0.560   0.446  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        5.192  -0.920   0.060  0.00  0.00    +0.216 C 
ATOM      9  N   LIG    1        3.865  -0.563  -0.132  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        3.425   0.724  -0.688  0.00  0.00    +0.126 C 
ATOM     11  C   LIG    1        1.970   0.705  -1.174  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        1.040   0.219  -0.153  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -0.289   0.619  -0.233  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.737   1.297  -1.155  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.560  -0.776   0.795  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        2.812  -1.496   0.275  0.00  0.00    +0.126 C 
ATOM     17  O   LIG    1        5.510  -2.019   0.518  0.00  0.00    -0.276 OA
BRANCH   8  18
ATOM     18  C   LIG    1        6.238   0.112  -0.333  0.00  0.00    +0.097 C 
BRANCH  18  19
ATOM     19  C   LIG    1        7.652  -0.323   0.057  0.00  0.00    +0.024 C 
BRANCH  19  20
ATOM     20  C   LIG    1        8.723   0.665  -0.400  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  N   LIG    1        8.554   1.973   0.223  0.00  0.00    -0.330 NA
ATOM     22  H   LIG    1        8.639   1.879   1.235  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1        9.318   2.583  -0.066  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   8  18
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  C   LIG    1       -4.502  -1.787   1.051  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.165  -1.402  -0.264  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -6.005  -0.179  -0.346  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -6.578   0.116  -1.581  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -7.382   1.251  -1.743  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -7.612   2.096  -0.659  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.042   1.807   0.580  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.332  -0.782  -2.721  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -6.825  -0.569  -3.823  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -5.529  -1.868  -2.472  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -5.345  -2.495  -3.249  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -6.240   0.672   0.740  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -4.954  -2.185  -1.282  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 7