REMARK  Name = BDB059728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.288   0.414   0.097  0.00  0.00    +0.165 A 
ATOM      2  C   LIG    1       -0.104   0.503   1.523  0.00  0.00    +0.268 A 
ATOM      3  O   LIG    1        0.676   0.875   2.394  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1       -1.383   0.142   1.833  0.00  0.00    -0.306 N 
ATOM      5  H   LIG    1       -1.680   0.195   2.796  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1       -2.337  -0.233   0.896  0.00  0.00    +0.144 A 
ATOM      7  C   LIG    1       -1.987  -0.284  -0.457  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1       -3.010  -0.593  -1.359  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -4.293  -0.867  -0.886  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -4.519  -0.815   0.479  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -3.567  -0.501   1.381  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -0.594   0.017  -0.838  0.00  0.00    +0.147 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        1.670   0.718  -0.299  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1        2.007   1.703  -0.938  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        2.481  -0.274   0.153  0.00  0.00    -0.461 OA
BRANCH  15  17
ATOM     16  C   LIG    1        4.523   0.737   0.968  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        3.877  -0.101  -0.121  0.00  0.00    +0.229 C 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH  12  18
ATOM     18  O   LIG    1       -0.223  -0.158  -2.158  0.00  0.00    -0.505 OA
ATOM     19  H   LIG    1       -0.782  -0.836  -2.572  0.00  0.00    +0.292 HD
ENDBRANCH  12  18
TORSDOF 4