REMARK  Name = BDB028548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.370   0.997   0.423  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1  14
ATOM      2  O   LIG    1        2.011   2.213   0.952  0.00  0.00    -0.252 OA
ATOM      3  C   LIG    1        2.082   1.053   0.559  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1        3.260   0.320   0.342  0.00  0.00    -0.255 N 
ATOM      5  C   LIG    1        4.544   0.950   0.138  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        5.720   0.168   0.072  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        6.967   0.773  -0.174  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        7.069   2.149  -0.341  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        5.924   2.930  -0.276  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        5.690  -1.329   0.221  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        4.454  -1.772   0.975  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1        4.678   2.336  -0.046  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        3.231  -1.149   0.331  0.00  0.00    +0.115 C 
ATOM     14  N   LIG    1        0.926   0.334   0.291  0.00  0.00    -0.296 N 
ATOM     15  H   LIG    1        1.035  -0.248  -0.527  0.00  0.00    +0.150 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1       -1.537  -0.009   0.426  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.292  -0.983   1.454  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.327  -0.999   1.598  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.685  -0.714  -0.942  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.947  -1.370  -1.306  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -4.006  -0.467  -1.765  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.906   0.082  -0.686  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -5.083  -0.609   0.524  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -5.964  -0.103   1.490  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.679   1.069   1.250  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.518   1.748   0.045  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.285  -1.853   0.820  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -5.640   1.254  -0.920  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.458  -2.372  -0.369  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5