REMARK  Name = BDB016361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.791   1.358   2.371  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.325   1.860   1.006  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.575   0.853   0.277  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.664   0.690   0.703  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.126  -0.323  -0.250  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.502  -0.548  -0.494  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.926  -1.795  -1.001  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -4.026  -2.800  -1.330  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.670  -2.571  -1.167  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -5.569   0.345  -0.272  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -6.504  -0.024  -0.393  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.622   1.661   0.038  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.732   2.182   0.184  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -2.201  -1.349  -0.647  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -4.383   2.486   0.133  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.740  -1.180  -0.534  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -0.045  -0.256  -1.306  0.00  0.00    +0.121 A 
ATOM     18  N   LIG    1        1.294  -0.051  -1.246  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.027  -0.784  -0.380  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        1.408  -1.749   0.416  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        0.026  -1.944   0.344  0.00  0.00    +0.013 A 
BRANCH  19  22
ATOM     22  N   LIG    1        3.402  -0.593  -0.332  0.00  0.00    -0.313 N 
ATOM     23  C   LIG    1        4.085  -0.619   0.972  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1        5.023   0.599   1.149  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1        6.048   0.727   0.092  0.00  0.00    -0.302 NA
ATOM     26  C   LIG    1        6.612   2.074   0.085  0.00  0.00    +0.105 C 
ATOM     27  C   LIG    1        5.505   0.353  -1.234  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1        3.962   0.326  -1.335  0.00  0.00    +0.122 C 
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 2