REMARK  Name = BDB062260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.688   0.786  -0.177  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1       -2.536   1.773   0.286  0.00  0.00    +0.176 A 
ATOM      3  O   LIG    1       -3.698   1.704  -0.431  0.00  0.00    -0.353 OA
ATOM      4  N   LIG    1       -3.628   0.694  -1.366  0.00  0.00    -0.077 NA
ATOM      5  C   LIG    1       -2.419   0.141  -1.219  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -2.035  -1.000  -2.044  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -2.236  -2.320  -1.580  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -1.854  -3.398  -2.403  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.292  -3.180  -3.659  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.102  -1.880  -4.116  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -1.471  -0.793  -3.317  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1       -1.184   0.789  -3.961  0.00  0.00    -0.083 Cl
BRANCH   7  13
ATOM     13  C   LIG    1       -2.848  -2.604  -0.227  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -4.093  -2.085  -0.073  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -2.096  -2.124   0.803  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -2.980  -3.940   0.025  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   5   6
BRANCH   2  17
ATOM     17  C   LIG    1       -2.323   2.841   1.403  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -1.190   3.062   2.155  0.00  0.00    +0.094 A 
ATOM     19  N   LIG    1       -1.448   4.104   3.012  0.00  0.00    -0.366 N 
ATOM     20  H   LIG    1       -0.792   4.486   3.682  0.00  0.00    +0.165 HD
ATOM     21  C   LIG    1       -2.727   4.554   2.813  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1       -3.292   3.790   1.816  0.00  0.00    +0.030 A 
ENDBRANCH   2  17
BRANCH   1  24
ATOM     23  C   LIG    1        0.707   0.285  -0.406  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -0.400   0.451   0.336  0.00  0.00    +0.014 C 
BRANCH  23  28
ATOM     25  C   LIG    1        4.570  -0.752   1.125  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        3.427  -1.356   1.660  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        2.159  -1.020   1.173  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        2.018  -0.070   0.153  0.00  0.00    -0.025 A 
ATOM     29  C   LIG    1        3.167   0.518  -0.390  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1        4.437   0.185   0.095  0.00  0.00    +0.015 A 
BRANCH  25  32
ATOM     31  O   LIG    1        6.086  -1.945   2.564  0.00  0.00    -0.245 OA
ATOM     32  C   LIG    1        5.893  -1.139   1.673  0.00  0.00    +0.337 C 
BRANCH  32  33
ATOM     33  O   LIG    1        6.913  -0.497   1.078  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        7.708  -0.847   1.533  0.00  0.00    +0.295 HD
ENDBRANCH  32  33
ENDBRANCH  25  32
ENDBRANCH  23  28
ENDBRANCH   1  24
TORSDOF 7