REMARK  Name = BDB056517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.063   2.793  -1.545  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.035   1.601  -1.243  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.138   0.861  -1.274  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -1.388   1.526  -1.650  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -2.594   0.977  -0.874  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1       -2.728  -0.483  -0.975  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1       -3.910  -1.194  -0.805  0.00  0.00    +0.220 C 
ATOM      8  O   LIG    1       -3.962  -2.400  -1.054  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -1.536  -1.217  -1.412  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1       -0.229  -0.566  -0.939  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.142  -0.445  -0.284  0.00  0.00    +0.089 C 
ATOM     12  C   LIG    1       -6.386  -1.343  -0.380  0.00  0.00    +0.093 C 
ATOM     13  N   LIG    1       -7.621  -0.689   0.067  0.00  0.00    -0.315 NA
ATOM     14  H   LIG    1       -8.076  -0.213  -0.712  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -7.440   0.243   1.177  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1       -6.201  -0.064   2.012  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1       -4.934   0.037   1.162  0.00  0.00    +0.015 C 
ENDBRANCH   7  11
BRANCH   2  18
ATOM     18  C   LIG    1        2.289   0.870  -0.798  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.500   1.798  -0.749  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.652   1.085  -0.091  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        4.816   1.319   1.248  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        4.222   1.968   1.743  0.00  0.00    +0.170 HD
ATOM     23  C   LIG    1        5.805   0.733   1.997  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1        5.937   0.965   3.192  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        6.690  -0.191   1.269  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1        6.443  -0.377  -0.094  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1        7.269  -1.248  -0.808  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        8.319  -1.916  -0.170  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        8.552  -1.719   1.192  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.736  -0.853   1.919  0.00  0.00    +0.015 A 
ATOM     31  N   LIG    1        5.397   0.275  -0.769  0.00  0.00    -0.234 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 4