REMARK  Name = BDB060366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.662   3.017   0.700  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.757   2.225   0.421  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.135   0.835   0.121  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.179  -0.126  -0.204  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -3.567  -1.441  -0.480  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -4.905  -1.843  -0.446  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.848  -0.868  -0.121  0.00  0.00    +0.126 A 
ATOM      8  F   LIG    1       -7.142  -1.210  -0.077  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1       -2.420  -2.157  -0.758  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -2.396  -3.144  -0.983  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -1.335  -1.327  -0.667  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        0.073  -1.736  -0.895  0.00  0.00    +0.162 C 
ATOM     13  N   LIG    1        0.964  -0.740  -0.287  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1        2.258  -1.185   0.005  0.00  0.00    +0.233 C 
ATOM     15  O   LIG    1        2.544  -2.382  -0.101  0.00  0.00    -0.274 OA
ATOM     16  C   LIG    1        0.597   0.689  -0.403  0.00  0.00    +0.166 C 
ATOM     17  C   LIG    1       -0.885   1.014  -0.148  0.00  0.00    +0.088 A 
ATOM     18  N   LIG    1       -1.215   2.225   0.169  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1       -1.790  -0.074  -0.327  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -5.486   0.445   0.158  0.00  0.00    +0.052 A 
ATOM     21  N   LIG    1       -2.465   2.711   0.413  0.00  0.00    -0.242 N 
ATOM     22  H   LIG    1       -2.454   3.701   0.650  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  14  23
ATOM     23  C   LIG    1        3.295  -0.141   0.487  0.00  0.00    +0.141 C 
ATOM     24  N   LIG    1        4.540  -0.790   0.944  0.00  0.00    -0.306 NA
ATOM     25  H   LIG    1        4.439  -1.164   1.884  0.00  0.00    +0.123 HD
ATOM     26  C   LIG    1        5.583   0.216   0.839  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1        5.289   0.830  -0.514  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1        3.768   0.806  -0.618  0.00  0.00    +0.029 C 
ENDBRANCH  14  23
TORSDOF 1