REMARK  Name = BDB051789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.191  -0.551  -1.126  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        2.062   0.083  -0.585  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.230  -0.599   0.312  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.536  -1.903   0.689  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        0.774  -2.563   1.574  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        2.639  -2.552   0.144  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        3.460  -1.881  -0.766  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.096   0.126   0.914  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -1.185  -0.422   0.857  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1       -1.609  -1.374  -0.191  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -2.815  -2.212   0.259  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1       -3.898  -1.340   0.719  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -4.861  -0.967  -0.220  0.00  0.00    +0.236 C 
ATOM     14  O   LIG    1       -4.813  -1.419  -1.371  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -3.480  -0.497   1.847  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -2.273   0.372   1.454  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1        0.347   1.208   1.442  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     18  C   LIG    1       -6.033  -0.015   0.202  0.00  0.00    +0.093 C 
ATOM     19  N   LIG    1       -5.528   1.348   0.531  0.00  0.00    -0.303 NA
ATOM     20  H   LIG    1       -6.287   1.864   0.979  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1       -5.255   1.983  -0.766  0.00  0.00    +0.082 C 
ATOM     22  C   LIG    1       -6.282   1.424  -1.736  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1       -6.964   0.289  -0.984  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1       -6.841  -0.641   1.342  0.00  0.00    +0.037 C 
ENDBRANCH  13  18
ENDBRANCH   3   8
BRANCH   1  25
ATOM     25  C   LIG    1        4.085   0.184  -2.099  0.00  0.00    +0.092 C 
BRANCH  25  35
ATOM     26  C   LIG    1        5.056   2.022   0.059  0.00  0.00    +0.046 C 
ATOM     27  C   LIG    1        6.032   1.079  -0.578  0.00  0.00    -0.019 A 
ATOM     28  C   LIG    1        7.333   0.976  -0.240  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        8.029   1.721   0.862  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1        8.219   0.039  -0.989  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1        9.413  -0.073  -0.727  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        7.632  -0.684  -1.989  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1        8.226  -1.324  -2.505  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1        6.325  -0.639  -2.343  0.00  0.00    -0.175 NA
ATOM     35  C   LIG    1        5.558   0.182  -1.690  0.00  0.00    +0.069 A 
ENDBRANCH  25  35
ENDBRANCH   1  25
TORSDOF 4