REMARK  Name = BDB058057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.246   0.575   0.214  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -2.333  -0.283  -0.370  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -0.961  -0.168  -0.351  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -0.468  -1.247  -1.069  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -1.580  -2.108  -1.549  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -1.537  -3.136  -2.188  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1        0.822  -1.523  -1.306  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -2.765  -1.418  -1.054  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -4.099  -1.752  -1.188  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -5.032  -0.893  -0.606  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.613   0.262   0.087  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.980  -0.738  -0.853  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        1.958   0.658  -0.737  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        3.099   1.359  -0.329  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        4.284   0.673  -0.043  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        4.320  -0.719  -0.172  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        3.177  -1.416  -0.580  0.00  0.00    +0.009 A 
BRANCH  15  18
ATOM     18  C   LIG    1        5.467   1.457   0.385  0.00  0.00    +0.337 C 
ATOM     19  O   LIG    1        5.518   2.667   0.510  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        6.540   0.686   0.637  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        7.230   1.330   0.903  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  15  18
ENDBRANCH   7  12
BRANCH   1  25
ATOM     22  N   LIG    1       -3.558   2.238   1.955  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -4.241   1.650   2.411  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -3.169   3.003   2.494  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -2.790   1.799   0.911  0.00  0.00    +0.245 C 
ATOM     26  O   LIG    1       -1.771   2.391   0.587  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 4