REMARK  Name = BDB057813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.977   0.240   0.516  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -4.567  -0.673   1.295  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -3.793  -1.631   1.810  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.412  -1.690   1.589  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -1.663  -2.754   2.153  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.279  -3.728   2.935  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.647  -3.655   3.160  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.883  -0.656   0.796  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -4.387  -2.612   2.595  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -2.662   0.296   0.256  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -6.136   1.061  -0.547  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -4.829   1.298  -0.055  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -4.332   2.621  -0.113  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.098   3.676  -0.610  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.387   3.438  -1.067  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.902   2.143  -1.036  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -7.826  -0.391  -1.423  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -6.747  -0.325  -0.583  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -5.902  -1.291  -1.040  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -7.222  -0.743   0.622  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  N   LIG    1       -0.498  -0.629   0.531  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        0.015  -0.678   1.406  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -0.044   0.494  -0.280  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.459   0.422  -0.409  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.058  -0.562  -1.199  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        3.453  -0.640  -1.308  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        4.305   0.252  -0.639  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        3.681   1.226   0.157  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        2.287   1.313   0.276  0.00  0.00    +0.007 A 
BRANCH  27  30
ATOM     30  N   LIG    1        5.682   0.172  -0.747  0.00  0.00    -0.326 N 
ATOM     31  C   LIG    1        6.361  -1.033  -1.248  0.00  0.00    +0.133 C 
ATOM     32  C   LIG    1        7.803  -1.084  -0.716  0.00  0.00    +0.178 C 
ATOM     33  O   LIG    1        8.605   0.046  -1.086  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1        7.839   1.240  -1.297  0.00  0.00    +0.178 C 
ATOM     35  C   LIG    1        6.555   1.320  -0.453  0.00  0.00    +0.133 C 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 6