REMARK  Name = BDB054817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.048   2.561   2.002  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.087   3.858   1.502  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.013   4.622   1.471  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.274   4.377   0.994  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.431   3.594   0.981  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.406   2.279   1.472  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.210   1.778   2.010  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  15
ATOM      8  C   LIG    1        3.662  -2.959  -1.573  0.00  0.00    +0.133 C 
ATOM      9  N   LIG    1        4.603  -1.992  -1.024  0.00  0.00    -0.292 N 
ATOM     10  C   LIG    1        4.551  -1.696   0.336  0.00  0.00    +0.304 C 
ATOM     11  N   LIG    1        3.300  -1.314   0.819  0.00  0.00    -0.283 N 
ATOM     12  C   LIG    1        2.474  -0.409   0.003  0.00  0.00    +0.128 C 
ATOM     13  C   LIG    1        1.312   0.234   0.775  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1        1.754   0.881   2.021  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1        1.204   2.035   2.571  0.00  0.00    +0.249 C 
ATOM     16  O   LIG    1        1.688   2.620   3.535  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        2.940   0.307   2.671  0.00  0.00    +0.127 C 
ATOM     18  C   LIG    1        3.157  -1.156   2.272  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1        5.551  -1.740   1.051  0.00  0.00    -0.252 OA
ATOM     20  C   LIG    1        5.926  -2.022  -1.623  0.00  0.00    +0.133 C 
ENDBRANCH   1  15
BRANCH   6  21
ATOM     21  C   LIG    1       -3.653   1.424   1.453  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.442   0.092   0.740  0.00  0.00    +0.087 A 
ATOM     23  C   LIG    1       -3.534   0.045  -0.762  0.00  0.00    +0.059 A 
ATOM     24  N   LIG    1       -3.742   1.194  -1.519  0.00  0.00    -0.342 N 
ATOM     25  H   LIG    1       -3.377   2.042  -1.092  0.00  0.00    +0.146 HD
ATOM     26  C   LIG    1       -3.569   1.158  -2.970  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -4.147  -0.145  -3.517  0.00  0.00    +0.023 C 
ATOM     28  C   LIG    1       -3.527  -1.361  -2.814  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -3.410  -1.167  -1.327  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -3.128  -2.357  -0.494  0.00  0.00    +0.270 A 
ATOM     31  O   LIG    1       -2.981  -3.470  -0.990  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -3.017  -2.136   0.854  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -2.837  -2.944   1.442  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -3.184  -0.943   1.486  0.00  0.00    -0.174 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 3