REMARK  Name = BDB001075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.997   1.079   0.484  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.349   2.407   0.272  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.718   3.399   0.917  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.366   2.728  -0.620  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.056   1.710  -1.284  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.746   0.361  -1.045  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.699   0.054  -0.163  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.291   0.028   2.411  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.053   0.712   1.448  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.366   1.095   1.202  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        2.408   0.722   2.161  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.559  -0.034   1.481  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        4.050   0.630   0.263  0.00  0.00    -0.296 N 
ATOM     14  C   LIG    1        5.131   0.180  -0.488  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1        5.514   0.790  -1.489  0.00  0.00    -0.273 OA
ATOM     16  C   LIG    1        3.358   1.859  -0.131  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        1.831   1.698  -0.058  0.00  0.00    +0.127 C 
BRANCH  14  18
ATOM     18  C   LIG    1        5.809  -1.142  -0.041  0.00  0.00    +0.204 C 
ATOM     19  O   LIG    1        6.428  -1.010   1.248  0.00  0.00    -0.367 OA
ATOM     20  C   LIG    1        7.853  -1.016   1.083  0.00  0.00    +0.161 C 
ATOM     21  C   LIG    1        8.132  -0.925  -0.399  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1        6.913  -1.590  -0.988  0.00  0.00    +0.043 C 
ENDBRANCH  14  18
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -3.499  -0.747  -1.746  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.013  -0.609  -1.649  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -5.717  -0.966  -0.389  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -7.101  -0.802  -0.367  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -7.839  -1.112   0.782  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -7.185  -1.587   1.917  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.801  -1.754   1.902  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.785  -0.298  -1.568  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -9.000  -0.141  -1.595  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -6.983  -0.019  -2.648  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -7.440   0.327  -3.486  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -5.066  -1.446   0.753  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -5.633  -0.162  -2.703  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4