REMARK  Name = BDB028547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.560   0.958   1.415  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.412  -0.260   1.356  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.176  -1.090   0.556  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.062  -0.450  -0.418  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1       -4.388   0.033   0.203  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -5.379  -1.108   0.508  0.00  0.00    +0.010 C 
ATOM      7  C   LIG    1       -4.824  -2.225   1.394  0.00  0.00    +0.002 C 
ATOM      8  C   LIG    1       -3.763  -3.065   0.686  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1       -2.342  -2.518   0.824  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1       -0.450  -0.840   2.132  0.00  0.00    -0.297 N 
ATOM     11  H   LIG    1       -0.081  -0.129   2.757  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -5.039   1.083  -0.691  0.00  0.00    -0.043 A 
ATOM     13  C   LIG    1       -5.132   2.410  -0.243  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -5.716   3.393  -1.044  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.210   3.065  -2.304  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.117   1.755  -2.766  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.532   0.770  -1.967  0.00  0.00    +0.004 A 
ENDBRANCH   5  12
BRANCH  10  18
ATOM     18  C   LIG    1        0.638  -1.608   1.530  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.841  -0.697   1.207  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.314  -0.139   2.445  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        2.723  -0.854   2.961  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.954  -1.505   0.498  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.058  -0.771  -0.139  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.830   0.065   0.795  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.989   0.775   0.121  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.969   1.023  -1.264  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.030   1.716  -1.862  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.091   2.184  -1.087  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.102   1.959   0.288  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.841   0.486  -2.110  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        7.055   1.261   0.891  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.625   0.046  -1.280  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  10  18
TORSDOF 6