REMARK  Name = BDB043937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.255   3.291  -0.132  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.725   2.007  -0.428  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.243   0.867   0.243  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1        0.253   1.048   1.234  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -0.214   2.336   1.531  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.284   3.451   0.852  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.336  -0.076   1.970  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -1.329  -0.863   1.530  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -2.122  -0.868   0.297  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -2.978  -1.975   0.403  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -3.884  -2.313  -0.580  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -3.923  -1.494  -1.704  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -3.085  -0.376  -1.831  0.00  0.00    +0.039 A 
ATOM     14  F   LIG    1       -4.785  -1.776  -2.689  0.00  0.00    -0.205 F 
ATOM     15  N   LIG    1       -2.777  -2.640   1.610  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -3.272  -3.461   1.925  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1       -2.174  -0.052  -0.820  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -1.794  -2.025   2.368  0.00  0.00    +0.249 C 
ATOM     19  O   LIG    1       -1.393  -2.354   3.467  0.00  0.00    -0.270 OA
ENDBRANCH   4   7
BRANCH   3  20
ATOM     20  C   LIG    1        1.778  -0.458  -0.116  0.00  0.00    -0.017 A 
ATOM     21  C   LIG    1        2.560  -1.192   0.789  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        3.055  -2.456   0.451  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        2.779  -3.003  -0.804  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        2.009  -2.281  -1.719  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        1.516  -1.018  -1.377  0.00  0.00    +0.010 A 
BRANCH  23  26
ATOM     26  C   LIG    1        3.284  -4.299  -1.153  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1        3.691  -5.348  -1.439  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH   3  20
BRANCH   1  29
ATOM     28  C   LIG    1        1.413   5.621  -0.582  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        1.822   4.290  -0.874  0.00  0.00    -0.495 OA
ENDBRANCH   1  29
TORSDOF 4