REMARK  Name = BDB028563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.548   0.414  -2.116  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.446   1.827  -1.917  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -0.494   2.059  -1.871  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -0.649  -0.032  -3.288  0.00  0.00    +0.266 C 
BRANCH   4   5
ATOM      5  O   LIG    1        0.700  -0.364  -2.908  0.00  0.00    -0.448 OA
BRANCH   5  11
ATOM      6  C   LIG    1        5.128   0.687   1.558  0.00  0.00    +0.104 C 
ATOM      7  N   LIG    1        4.900   0.370   0.144  0.00  0.00    -0.304 NA
ATOM      8  C   LIG    1        4.037   1.405  -0.459  0.00  0.00    +0.103 C 
ATOM      9  C   LIG    1        3.820   1.253  -1.973  0.00  0.00    +0.126 C 
ATOM     10  N   LIG    1        2.808   0.249  -2.285  0.00  0.00    -0.266 N 
ATOM     11  C   LIG    1        1.526   0.669  -2.591  0.00  0.00    +0.403 C 
ATOM     12  O   LIG    1        1.155   1.836  -2.558  0.00  0.00    -0.226 OA
ATOM     13  C   LIG    1        3.166  -1.162  -2.235  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1        4.409  -1.517  -1.424  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1        4.368  -0.994   0.014  0.00  0.00    +0.085 C 
ENDBRANCH   5  11
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -1.246  -0.359  -0.807  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.075  -0.009   0.366  0.00  0.00    -0.295 NA
ATOM     18  C   LIG    1       -3.515  -0.174   0.106  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1       -4.394  -0.069   1.337  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -3.853  -0.172   2.629  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -4.695  -0.091   3.747  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -6.070   0.066   3.584  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.613   0.151   2.305  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.364  -0.305   2.807  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1       -5.781   0.082   1.187  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -1.672  -0.806   1.534  0.00  0.00    +0.089 C 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6