REMARK  Name = BDB028194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.545   0.722  -0.672  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.402  -0.222  -0.575  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.699  -1.581  -0.608  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.676  -2.532  -0.535  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.348  -2.117  -0.418  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.030  -0.752  -0.366  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -4.103  -2.010  -0.709  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.407  -3.197  -0.746  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.039  -1.007  -0.752  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.014  -1.283  -0.819  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.068   0.191  -0.446  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.784   0.329  -0.744  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.349  -0.308  -0.236  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.359  -1.013   0.386  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1        3.482  -0.240   0.299  0.00  0.00    -0.269 N 
ATOM     16  N   LIG    1        3.276   0.932  -0.337  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        1.980   0.887  -0.658  0.00  0.00    +0.142 A 
BRANCH  15  18
ATOM     18  C   LIG    1        4.805  -0.555   0.813  0.00  0.00    +0.171 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.325   0.532   1.747  0.00  0.00    +0.179 C 
BRANCH  19  20
ATOM     20  O   LIG    1        5.704   1.702   1.024  0.00  0.00    -0.393 OA
ATOM     21  H   LIG    1        4.943   1.918   0.440  0.00  0.00    +0.209 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   6  13
BRANCH   1  22
ATOM     22  C   LIG    1       -3.290   2.227  -0.689  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.007   2.682   0.673  0.00  0.00    -0.325 NA
ATOM     24  H   LIG    1       -2.950   3.700   0.675  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -3.816   2.458   1.259  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6