REMARK  Name = BDB044032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.205   1.000   0.606  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        1.978   0.117   0.769  0.00  0.00    +0.175 C 
ATOM      3  O   LIG    1        0.789   0.935   0.639  0.00  0.00    -0.488 OA
ATOM      4  C   LIG    1       -0.119   0.129   0.001  0.00  0.00    +0.136 A 
ATOM      5  C   LIG    1        0.455  -1.029  -0.511  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.303  -1.972  -1.184  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -1.672  -1.739  -1.332  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.256  -0.569  -0.819  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -1.474   0.383  -0.143  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1        1.917  -1.006  -0.274  0.00  0.00    +0.083 C 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -2.087   1.627   0.379  0.00  0.00    +0.245 C 
ATOM     12  O   LIG    1       -1.534   2.717   0.330  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -3.332   1.498   0.936  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.682   2.320   1.412  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -3.685   0.599   1.231  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
TORSDOF 1