REMARK  Name = BDB018889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.618  -0.748   0.215  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -1.343  -0.319  -0.133  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.199  -1.138  -0.236  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.912  -0.378  -0.616  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.172  -0.956  -0.792  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        2.278  -2.339  -0.581  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.165  -3.102  -0.197  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.549   1.069  -0.752  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.083  -2.501  -0.021  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.972   1.036  -0.577  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -2.891  -1.911   0.524  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.338  -0.172  -1.185  0.00  0.00    -0.005 A 
ATOM     13  C   LIG    1        4.045   0.589  -0.230  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        5.141   1.317  -0.680  0.00  0.00    +0.139 A 
ATOM     15  N   LIG    1        5.681   1.978   0.389  0.00  0.00    -0.346 N 
ATOM     16  H   LIG    1        6.492   2.575   0.323  0.00  0.00    +0.167 HD
ATOM     17  C   LIG    1        4.963   1.696   1.523  0.00  0.00    +0.085 A 
ATOM     18  N   LIG    1        5.622   1.388  -1.934  0.00  0.00    -0.237 NA
ATOM     19  C   LIG    1        4.920   0.636  -2.810  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        3.944   0.835   1.171  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        3.808  -0.138  -2.505  0.00  0.00    +0.029 A 
ENDBRANCH   5  12
BRANCH   1  23
ATOM     22  N   LIG    1       -5.094  -0.196   0.117  0.00  0.00    -0.258 N 
ATOM     23  C   LIG    1       -3.707   0.342   0.264  0.00  0.00    +0.170 C 
ATOM     24  C   LIG    1       -3.725   1.025   1.631  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -4.644   0.132   2.448  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -5.728  -0.274   1.460  0.00  0.00    +0.117 C 
BRANCH  22  28
ATOM     27  N   LIG    1       -5.915  -1.391  -1.914  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1       -5.532  -0.854  -0.963  0.00  0.00    +0.170 C 
ENDBRANCH  22  28
ENDBRANCH   1  23
TORSDOF 3