REMARK  Name = BDB028553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.846  -0.838   0.373  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.563  -1.137   0.320  0.00  0.00    -0.448 OA
BRANCH   2   4
ATOM      3  O   LIG    1        0.985   1.094   0.068  0.00  0.00    -0.226 OA
ATOM      4  C   LIG    1        1.380  -0.063   0.149  0.00  0.00    +0.403 C 
ATOM      5  N   LIG    1        2.696  -0.430   0.074  0.00  0.00    -0.267 N 
ATOM      6  C   LIG    1        3.758   0.529  -0.164  0.00  0.00    +0.119 C 
ATOM      7  C   LIG    1        4.971  -0.334  -0.536  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        4.705  -1.636   0.235  0.00  0.00    +0.029 C 
ATOM      9  C   LIG    1        3.194  -1.792   0.121  0.00  0.00    +0.112 C 
BRANCH   7  10
ATOM     10  C   LIG    1        6.313   0.298  -0.259  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1        7.218   0.495  -1.313  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        8.466   1.080  -1.085  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        8.826   1.475   0.201  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        7.940   1.287   1.258  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.692   0.702   1.030  0.00  0.00    +0.004 A 
ENDBRANCH   7  10
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -1.417  -0.638  -1.036  0.00  0.00    +0.166 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.500  -1.912  -1.703  0.00  0.00    -0.387 OA
ATOM     18  H   LIG    1       -2.415  -2.220  -1.539  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.816   0.022  -1.066  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.919  -0.918  -0.743  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -5.185  -0.477  -1.370  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -5.983   0.487  -0.528  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -6.163   0.159   0.826  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -6.954   0.963   1.646  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -7.551   2.108   1.118  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.367   2.442  -0.226  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.478  -1.091   1.308  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -6.589   1.630  -1.052  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.053  -1.141   0.720  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7