REMARK  Name = BDB051856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.089   1.702   0.545  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        1.938   0.928   0.633  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.014   0.397  -0.388  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        0.055  -0.367   0.263  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1        0.179  -0.288   1.703  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        1.075   0.609  -1.585  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.424   0.516   1.876  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        2.039   0.863   3.069  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        3.192   1.639   3.008  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.707   2.051   1.766  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.135  -0.887  -0.409  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -2.218   0.200  -0.542  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -3.635  -0.364  -0.675  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1       -3.644  -1.726  -1.355  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1       -2.835  -2.760  -0.571  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -1.692  -2.153   0.247  0.00  0.00    +0.022 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     17  N   LIG    1        3.343   1.783  -1.913  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        2.475   1.272  -2.068  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        3.763   2.219  -2.722  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1        3.757   2.205  -0.689  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1        4.695   2.995  -0.614  0.00  0.00    -0.270 OA
ENDBRANCH   1  20
TORSDOF 2