REMARK  Name = BDB002786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.225   0.304  -1.155  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1        0.870   0.704  -0.485  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.720   0.067  -2.423  0.00  0.00    +0.219 C 
ATOM      4  O   LIG    1        0.127  -0.449  -3.364  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -3.575  -0.579   0.492  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -3.333  -0.837  -0.856  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -2.082  -0.554  -1.427  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.056  -0.007  -0.659  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.299   0.254   0.694  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -2.545  -0.032   1.264  0.00  0.00    +0.025 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -7.061  -1.501   1.600  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -5.959  -1.343   0.582  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -4.799  -0.840   1.142  0.00  0.00    -0.286 N 
ATOM     14  H   LIG    1       -4.830  -0.622   2.130  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -6.152  -1.622  -0.596  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1        2.155   0.522  -2.585  0.00  0.00    +0.118 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.141  -0.462  -1.964  0.00  0.00    +0.135 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.185  -0.416  -0.508  0.00  0.00    -0.302 N 
ATOM     19  C   LIG    1        3.747   0.614   0.224  0.00  0.00    +0.088 A 
ATOM     20  C   LIG    1        3.611   0.260   1.553  0.00  0.00    +0.154 A 
ATOM     21  C   LIG    1        4.059   1.073   2.573  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        4.667   2.279   2.214  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.813   2.635   0.859  0.00  0.00    +0.002 A 
ATOM     24  O   LIG    1        2.999  -0.970   1.725  0.00  0.00    -0.431 OA
ATOM     25  C   LIG    1        4.351   1.793  -0.158  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1        2.777  -1.371   0.408  0.00  0.00    +0.249 A 
ATOM     27  S   LIG    1        2.082  -2.856   0.166  0.00  0.00    +0.009 S 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 5