REMARK  Name = BDB060790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.199  -0.297   0.178  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -0.949  -1.215  -0.309  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1       -2.322  -0.634  -0.552  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -3.242  -1.221   0.320  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -4.578  -0.879   0.337  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -5.005   0.091  -0.572  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.098   0.681  -1.469  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1       -2.619  -2.163   1.120  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1       -3.065  -2.728   1.827  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -2.748   0.316  -1.469  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -1.264  -2.252   0.837  0.00  0.00    +0.243 C 
ATOM     12  O   LIG    1       -0.469  -2.998   1.391  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -0.454  -1.961  -1.494  0.00  0.00    -0.288 NA
ATOM     14  H   LIG    1       -0.655  -1.422  -2.339  0.00  0.00    +0.124 HD
ATOM     15  C   LIG    1        1.032  -2.041  -1.322  0.00  0.00    +0.168 C 
ATOM     16  C   LIG    1        1.385  -0.652  -0.758  0.00  0.00    +0.058 C 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1        2.723  -0.555  -0.050  0.00  0.00    -0.039 A 
ATOM     18  C   LIG    1        3.089  -1.440   0.976  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1        4.325  -1.307   1.605  0.00  0.00    +0.124 A 
ATOM     20  F   LIG    1        4.660  -2.158   2.584  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        5.213  -0.305   1.240  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        4.861   0.585   0.229  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        3.623   0.462  -0.410  0.00  0.00    +0.004 A 
ENDBRANCH  16  17
BRANCH   1  27
ATOM     24  C   LIG    1       -1.184   4.601   0.996  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1       -0.694   3.293   0.497  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -0.683   2.028   1.137  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -0.120   1.169   0.212  0.00  0.00    +0.174 A 
ATOM     28  O   LIG    1        0.169   1.885  -0.911  0.00  0.00    -0.357 OA
ATOM     29  N   LIG    1       -0.182   3.204  -0.737  0.00  0.00    -0.081 NA
BRANCH  26  30
ATOM     30  N   LIG    1       -1.161   1.693   2.440  0.00  0.00    +0.062 N 
ATOM     31  O   LIG    1       -1.195   0.494   2.739  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1       -1.513   2.626   3.169  0.00  0.00    -0.126 OA
ENDBRANCH  26  30
ENDBRANCH   1  27
BRANCH  15  33
ATOM     33  C   LIG    1        1.829  -2.352  -2.608  0.00  0.00    +0.405 C 
ATOM     34  F   LIG    1        1.498  -3.561  -3.113  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1        3.161  -2.353  -2.393  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1        1.567  -1.428  -3.565  0.00  0.00    -0.169 F 
ENDBRANCH  15  33
TORSDOF 4