REMARK  Name = BDB064230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.423   0.531  -0.128  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.052   1.869  -0.226  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.075   2.317   0.348  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.840   2.766  -0.939  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.022   2.327  -1.542  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.436   0.989  -1.420  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.616   0.091  -0.715  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  14
ATOM      8  O   LIG    1        4.684  -2.163   1.906  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1        3.999  -1.520   1.107  0.00  0.00    +0.233 C 
ATOM     10  N   LIG    1        4.567  -0.820   0.042  0.00  0.00    -0.299 N 
ATOM     11  C   LIG    1        3.780   0.160  -0.702  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        2.342  -0.299  -0.920  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        1.724  -0.605   0.365  0.00  0.00    -0.287 N 
ATOM     14  C   LIG    1        0.377  -0.425   0.658  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1       -0.203  -1.035   1.554  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        2.462  -1.560   1.191  0.00  0.00    +0.204 C 
BRANCH  10  17
ATOM     17  C   LIG    1        6.024  -0.713  -0.029  0.00  0.00    +0.110 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.572   0.395   0.873  0.00  0.00    +0.047 C 
BRANCH  18  19
ATOM     19  C   LIG    1        8.093   0.427   0.859  0.00  0.00    +0.157 C 
BRANCH  19  20
ATOM     20  O   LIG    1        8.554   0.734  -0.450  0.00  0.00    -0.395 OA
ATOM     21  H   LIG    1        9.526   0.763  -0.407  0.00  0.00    +0.209 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  C   LIG    1       -3.716   0.532  -2.095  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.508  -0.415  -1.311  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1       -5.298   0.020  -0.202  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -6.048  -0.916   0.520  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -6.838  -0.536   1.614  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -6.886   0.798   2.003  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.148   1.745   1.300  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.008  -2.330   0.118  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1       -6.663  -3.189   0.696  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1       -5.202  -2.626  -0.945  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1       -5.160  -3.595  -1.224  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1       -5.361   1.361   0.206  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -4.455  -1.752  -1.680  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1       -3.779  -2.179  -2.615  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 7