REMARK  Name = BDB030640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.446   0.012   0.381  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -0.402   0.795   0.786  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -0.405   1.877   1.345  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.823   0.094   0.431  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1        0.460  -1.073  -0.211  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        1.401  -1.964  -0.679  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        2.748  -1.639  -0.469  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.136  -0.440   0.190  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        2.142   0.444   0.648  0.00  0.00    +0.137 A 
ATOM     10  C   LIG    1       -1.000  -1.105  -0.272  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -1.639  -1.975  -0.832  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -6.768   0.667  -0.804  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.602   0.582  -0.432  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -4.577   1.089  -1.191  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.841   1.473  -2.089  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -3.225   1.019  -0.941  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -2.414   1.448  -1.760  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -2.831   0.457   0.429  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -3.824  -0.619   0.861  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -5.223  -0.020   0.902  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        4.557  -0.182   0.366  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        5.174   1.041   0.210  0.00  0.00    +0.113 A 
ATOM     23  N   LIG    1        6.502   0.837   0.445  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1        7.253   1.520   0.431  0.00  0.00    +0.188 HD
ATOM     25  N   LIG    1        6.807  -0.443   0.715  0.00  0.00    -0.182 NA
ATOM     26  C   LIG    1        5.623  -1.060   0.671  0.00  0.00    +0.142 A 
ENDBRANCH   8  21
BRANCH   9  27
ATOM     27  O   LIG    1        2.454   1.602   1.304  0.00  0.00    -0.505 OA
ATOM     28  H   LIG    1        1.628   2.084   1.521  0.00  0.00    +0.292 HD
ENDBRANCH   9  27
TORSDOF 3