REMARK  Name = BDB028141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.545  -0.206   0.518  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -0.625   0.074  -0.214  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -1.889  -0.001   0.388  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.991  -0.358   1.729  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.320  -0.435   2.355  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.387  -0.139   1.543  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.313  -0.186   1.958  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.324   0.214   0.231  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.454  -0.747   3.532  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.843  -0.641   2.474  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.153   0.287  -0.337  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.414  -0.565   1.871  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        5.766   0.206  -1.839  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1        4.394   0.079  -1.250  0.00  0.00    +0.038 A 
ATOM     15  N   LIG    1        4.145   0.751  -0.103  0.00  0.00    -0.260 NA
ATOM     16  C   LIG    1        2.904   0.634   0.429  0.00  0.00    +0.119 A 
ATOM     17  C   LIG    1        1.869  -0.126  -0.116  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.165  -0.806  -1.302  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        3.433  -0.706  -1.876  0.00  0.00    +0.023 A 
ENDBRANCH   1  17
BRANCH  11  20
ATOM     20  C   LIG    1       -3.071   0.683  -1.815  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.407   0.918  -2.374  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1       -4.865   1.624  -1.792  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -4.967   0.080  -2.196  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 3