REMARK  Name = BDB062946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.963   0.232   0.611  0.00  0.00    +0.165 C 
ATOM      2  N   LIG    1       -0.500   0.341   0.528  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.114   0.692  -0.665  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.435   0.792  -1.696  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.126   0.027   1.804  0.00  0.00    +0.145 C 
ATOM      6  C   LIG    1        0.029  -0.194   2.772  0.00  0.00    +0.186 C 
ATOM      7  F   LIG    1        0.333   0.977   3.393  0.00  0.00    -0.244 F 
ATOM      8  C   LIG    1        1.194  -0.591   1.880  0.00  0.00    +0.070 C 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.679   0.962  -0.653  0.00  0.00    +0.083 C 
ATOM     10  C   LIG    1       -3.133   2.174   0.234  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -4.079   2.610  -0.896  0.00  0.00    +0.251 C 
ATOM     12  F   LIG    1       -5.347   2.150  -0.791  0.00  0.00    -0.206 F 
ATOM     13  F   LIG    1       -4.169   3.942  -1.101  0.00  0.00    -0.206 F 
ATOM     14  C   LIG    1       -3.175   1.842  -1.871  0.00  0.00    +0.096 C 
BRANCH   9  15
ATOM     15  C   LIG    1       -3.446  -0.466  -0.539  0.00  0.00    -0.032 A 
ATOM     16  C   LIG    1       -4.444  -0.739   0.420  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -5.087  -1.981   0.493  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -4.750  -2.990  -0.401  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -5.535  -4.516  -0.309  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -3.781  -2.764  -1.369  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.146  -1.519  -1.435  0.00  0.00    +0.006 A 
ENDBRANCH   9  15
ENDBRANCH   3   9
BRANCH   1  23
ATOM     22  O   LIG    1        0.897   2.654   0.893  0.00  0.00    -0.273 OA
ATOM     23  C   LIG    1        1.589   1.643   0.706  0.00  0.00    +0.239 C 
ATOM     24  N   LIG    1        2.937   1.835   0.611  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        3.183   2.811   0.702  0.00  0.00    +0.156 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.965   0.925   0.351  0.00  0.00    +0.126 A 
ATOM     27  N   LIG    1        3.687  -0.378   0.189  0.00  0.00    -0.229 NA
ATOM     28  C   LIG    1        4.749  -1.177  -0.064  0.00  0.00    +0.110 A 
ATOM     29  C   LIG    1        6.052  -0.713  -0.147  0.00  0.00    +0.084 A 
ATOM     30  N   LIG    1        6.812  -1.821  -0.410  0.00  0.00    -0.275 N 
ATOM     31  H   LIG    1        7.816  -1.869  -0.540  0.00  0.00    +0.189 HD
ATOM     32  N   LIG    1        6.104  -2.965  -0.497  0.00  0.00    -0.180 NA
ATOM     33  C   LIG    1        6.355   0.632   0.023  0.00  0.00    +0.032 A 
ATOM     34  C   LIG    1        4.844  -2.564  -0.290  0.00  0.00    +0.162 A 
ATOM     35  C   LIG    1        5.257   1.457   0.279  0.00  0.00    +0.046 A 
ENDBRANCH  24  26
ENDBRANCH   1  23
TORSDOF 4