REMARK  Name = BDB050178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.557  -1.459   1.674  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -3.426  -1.371   0.581  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -3.183  -0.388  -0.393  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -2.086   0.453  -0.235  0.00  0.00    +0.138 A 
ATOM      5  O   LIG    1       -2.025   1.336  -1.274  0.00  0.00    -0.463 OA
ATOM      6  C   LIG    1       -3.071   1.061  -2.095  0.00  0.00    +0.196 A 
ATOM      7  C   LIG    1       -1.183   0.395   0.835  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -3.812   0.013  -1.602  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -1.465  -0.594   1.798  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.004   1.320   0.980  0.00  0.00    +0.043 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.355   0.805   0.461  0.00  0.00    +0.007 C 
ATOM     12  C   LIG    1        1.859  -0.448   1.190  0.00  0.00    +0.084 C 
ATOM     13  N   LIG    1        3.239  -0.806   0.847  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1        3.881  -0.448   1.554  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        3.673  -0.336  -0.470  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1        2.542  -0.325  -1.493  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        1.388   0.584  -1.061  0.00  0.00    +0.006 C 
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2