REMARK  Name = BDB001822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.009   0.815  -0.363  0.00  0.00    +0.280 C 
ATOM      2  N   LIG    1        2.100  -0.062  -0.589  0.00  0.00    -0.181 N 
ATOM      3  C   LIG    1        3.448   0.268  -0.797  0.00  0.00    +0.141 A 
ATOM      4  C   LIG    1        4.097  -0.923  -1.037  0.00  0.00    +0.111 A 
ATOM      5  C   LIG    1        3.107  -1.910  -0.957  0.00  0.00    +0.155 A 
ATOM      6  N   LIG    1        1.901  -1.411  -0.686  0.00  0.00    -0.169 NA
ATOM      7  O   LIG    1        1.234   2.026  -0.447  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.065  -0.269   0.504  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1       -2.768   0.893  -0.207  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.436   1.225  -0.483  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -0.388   0.394  -0.061  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -0.688  -0.759   0.667  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -2.020  -1.088   0.940  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.414   0.086   0.417  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -4.314  -0.710   0.841  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   3  16
ATOM     16  N   LIG    1        3.912   1.542  -0.739  0.00  0.00    -0.342 N 
ATOM     17  H   LIG    1        4.827   1.810  -1.095  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        3.244   2.322  -0.699  0.00  0.00    +0.144 HD
ENDBRANCH   3  16
BRANCH   4  19
ATOM     19  C   LIG    1        5.481  -1.113  -1.306  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        6.607  -1.281  -1.533  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
TORSDOF 4