REMARK  Name = BDB054820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.051   0.858  -0.012  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.249   2.021   0.725  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.522   3.100   0.532  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.252   2.077   1.688  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.080   0.971   1.894  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.924  -0.194   1.124  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.892  -0.245   0.175  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.594   0.611  -2.212  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.982   0.787  -1.058  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.322   0.858  -0.697  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        3.345   0.734  -1.737  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.412  -0.318  -1.383  0.00  0.00    +0.124 C 
ATOM     13  N   LIG    1        5.023  -0.067  -0.059  0.00  0.00    -0.327 N 
ATOM     14  C   LIG    1        4.345   0.909   0.811  0.00  0.00    +0.124 C 
ATOM     15  C   LIG    1        2.812   0.797   0.688  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        6.331  -0.471   0.181  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        7.165   0.181   1.095  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1        8.463  -0.273   1.300  0.00  0.00    +0.112 A 
ATOM     19  N   LIG    1        8.997  -1.336   0.671  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        8.190  -1.970  -0.200  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1        6.883  -1.582  -0.469  0.00  0.00    +0.043 A 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -2.831  -1.387   1.326  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.315  -1.042   1.310  0.00  0.00    +0.087 A 
ATOM     24  C   LIG    1       -4.964  -0.641   0.013  0.00  0.00    +0.059 A 
ATOM     25  N   LIG    1       -4.257  -0.575  -1.177  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1       -3.365  -1.057  -1.212  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1       -4.936  -0.429  -2.456  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -6.109   0.536  -2.296  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -7.032   0.106  -1.148  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -6.270  -0.336   0.072  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -7.004  -0.424   1.353  0.00  0.00    +0.270 A 
ATOM     32  O   LIG    1       -8.203  -0.173   1.430  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.268  -0.805   2.443  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -6.756  -0.872   3.330  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -4.943  -1.114   2.448  0.00  0.00    -0.174 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4