REMARK  Name = BDB044030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.214   0.967   0.607  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        1.984   0.720  -0.250  0.00  0.00    +0.175 C 
ATOM      3  O   LIG    1        0.799   0.988   0.539  0.00  0.00    -0.488 OA
ATOM      4  C   LIG    1       -0.119   0.061   0.115  0.00  0.00    +0.136 A 
ATOM      5  C   LIG    1        0.445  -0.928  -0.683  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.322  -1.951  -1.214  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -1.691  -1.964  -0.936  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.265  -0.968  -0.128  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -1.473   0.060   0.409  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1        1.909  -0.719  -0.773  0.00  0.00    +0.083 C 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -2.075   1.098   1.279  0.00  0.00    +0.245 C 
ATOM     12  O   LIG    1       -1.516   1.547   2.269  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -3.317   1.546   0.912  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.659   2.347   1.426  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -3.673   1.401  -0.022  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
TORSDOF 1