REMARK  Name = BDB065314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.000  -0.527   1.813  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.902   0.462   2.786  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.969   1.195   3.132  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.317   0.711   3.408  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.444  -0.037   3.054  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.359  -1.037   2.070  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.117  -1.292   1.467  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.752  -1.150  -1.692  0.00  0.00    +0.030 C 
ATOM      9  C   LIG    1       -4.062  -0.316  -0.443  0.00  0.00    +0.095 C 
ATOM     10  N   LIG    1       -2.819   0.087   0.252  0.00  0.00    -0.287 N 
ATOM     11  C   LIG    1       -2.295  -0.818   1.183  0.00  0.00    +0.250 C 
ATOM     12  O   LIG    1       -2.843  -1.873   1.493  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -1.982   1.123  -0.371  0.00  0.00    +0.165 C 
ATOM     14  C   LIG    1       -2.793   2.104  -1.113  0.00  0.00    +0.076 A 
ATOM     15  N   LIG    1       -4.136   1.965  -1.292  0.00  0.00    -0.245 N 
ATOM     16  N   LIG    1       -4.657   2.969  -2.009  0.00  0.00    -0.065 NA
ATOM     17  N   LIG    1       -3.658   3.787  -2.316  0.00  0.00    -0.138 NA
ATOM     18  C   LIG    1       -2.508   3.275  -1.776  0.00  0.00    +0.161 A 
ATOM     19  C   LIG    1       -4.943   0.896  -0.761  0.00  0.00    +0.167 C 
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        2.576  -1.857   1.699  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.861  -1.851   0.202  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1        3.550  -0.693  -0.424  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        3.748  -0.742  -1.803  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        4.383   0.312  -2.472  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        4.823   1.423  -1.754  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.631   1.477  -0.375  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        3.283  -1.917  -2.556  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1        3.433  -2.000  -3.769  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        2.675  -2.904  -1.820  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1        2.350  -3.725  -2.321  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1        3.997   0.424   0.292  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1        2.456  -2.884  -0.478  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 3