REMARK  Name = BDB057926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.946   1.941   2.266  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -0.462   1.266   1.015  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1       -1.218   1.257  -0.171  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -0.692   0.703  -1.351  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -1.410   0.798  -2.667  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        0.545   0.038  -1.301  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        1.272  -0.028  -0.105  0.00  0.00    +0.087 A 
ATOM      8  C   LIG    1        0.771   0.594   1.045  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   7   9
ATOM      9  N   LIG    1        2.521  -0.707  -0.065  0.00  0.00    -0.149 N 
ATOM     10  N   LIG    1        3.034  -1.316  -1.161  0.00  0.00    -0.147 NA
ATOM     11  C   LIG    1        4.192  -1.821  -0.714  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1        4.327  -1.485   0.701  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1        5.442  -1.876   1.463  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        6.408  -2.613   0.749  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.276  -2.939  -0.628  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.167  -2.557  -1.409  0.00  0.00    +0.032 A 
ATOM     17  N   LIG    1        3.249  -0.785   1.077  0.00  0.00    -0.147 NA
ENDBRANCH   7   9
BRANCH   3  18
ATOM     18  O   LIG    1       -2.433   1.887  -0.187  0.00  0.00    -0.475 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -3.622   1.085   0.028  0.00  0.00    +0.200 C 
ATOM     20  C   LIG    1       -3.384  -0.400   0.363  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1       -4.370   1.761   1.190  0.00  0.00    +0.067 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.530   1.218  -1.223  0.00  0.00    +0.348 C 
ATOM     23  O   LIG    1       -4.285   1.914  -2.200  0.00  0.00    -0.247 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -5.688   0.510  -1.172  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1       -5.853   0.012  -0.352  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5