REMARK  Name = BDB051791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.201   1.298   1.232  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -2.359   0.563   0.381  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.165   0.017   0.870  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.817   0.185   2.206  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        0.304  -0.360   2.701  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -1.630   0.928   3.055  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -2.813   1.490   2.568  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.331  -0.790  -0.036  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        0.977  -0.394  -0.293  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        1.558   0.893   0.114  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        2.707   1.343  -0.798  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        3.746   0.319  -0.942  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1        5.045   0.728  -1.214  0.00  0.00    +0.233 C 
ATOM     14  O   LIG    1        5.321   1.920  -1.387  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1        3.303  -1.080  -0.876  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        1.802  -1.247  -1.149  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -0.850  -1.780  -0.548  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     18  C   LIG    1        6.149  -0.357  -1.302  0.00  0.00    +0.141 C 
ATOM     19  N   LIG    1        7.449   0.258  -1.682  0.00  0.00    -0.306 NA
ATOM     20  H   LIG    1        7.256   1.179  -2.091  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1        8.200   0.433  -0.441  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        7.880  -0.832   0.323  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        6.404  -1.049   0.038  0.00  0.00    +0.029 C 
ENDBRANCH  13  18
ENDBRANCH   3   8
BRANCH   1  24
ATOM     24  C   LIG    1       -4.480   1.924   0.721  0.00  0.00    +0.092 C 
BRANCH  24  34
ATOM     25  C   LIG    1       -6.020  -0.367   1.872  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -6.048  -0.155   0.388  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1       -6.710  -0.936  -0.490  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -7.478  -2.186  -0.168  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1       -6.706  -0.586  -1.940  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -7.319  -1.252  -2.768  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -5.994   0.525  -2.294  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -5.980   0.769  -3.278  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -5.291   1.323  -1.454  0.00  0.00    -0.175 NA
ATOM     34  C   LIG    1       -5.304   1.016  -0.192  0.00  0.00    +0.069 A 
ENDBRANCH  24  34
ENDBRANCH   1  24
TORSDOF 4