REMARK  Name = BDB045756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.281   1.319   2.697  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -0.698   0.904   1.702  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -1.422   0.175   0.630  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -0.718  -0.289  -0.502  0.00  0.00    -0.003 A 
ATOM      5  C   LIG    1       -1.462  -0.973  -1.484  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -2.841  -1.185  -1.344  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -3.506  -0.712  -0.210  0.00  0.00    +0.127 A 
ATOM      8  C   LIG    1        0.738  -0.042  -0.605  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.386   0.655   0.436  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        2.758   0.925   0.408  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1        3.514   0.493  -0.684  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        2.906  -0.200  -1.735  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        1.531  -0.462  -1.690  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -2.803  -0.030   0.783  0.00  0.00    +0.046 A 
ATOM     15  N   LIG    1        0.650   1.097   1.540  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        1.104   1.598   2.295  0.00  0.00    +0.169 HD
ENDROOT
BRANCH   7  17
ATOM     17  N   LIG    1       -4.950  -0.935  -0.066  0.00  0.00    +0.056 N 
ATOM     18  O   LIG    1       -5.503  -0.500   0.953  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1       -5.530  -1.546  -0.975  0.00  0.00    -0.126 OA
ENDBRANCH   7  17
BRANCH  11  20
ATOM     20  N   LIG    1        4.955   0.769  -0.728  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1        5.451   1.386   0.224  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        5.587   0.369  -1.715  0.00  0.00    -0.126 OA
ENDBRANCH  11  20
TORSDOF 2