REMARK  Name = BDB028005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.091   0.726   0.656  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.601  -0.065   1.689  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        0.688  -0.609   1.611  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        1.525  -0.351   0.516  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.008   0.468  -0.504  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -0.279   1.012  -0.435  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.820  -0.879   0.385  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1        3.879   0.161   0.325  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        5.234  -0.470  -0.075  0.00  0.00    +0.100 C 
ATOM     10  N   LIG    1        5.646  -1.595   0.787  0.00  0.00    -0.313 NA
ATOM     11  H   LIG    1        6.481  -2.025   0.393  0.00  0.00    +0.122 HD
ATOM     12  C   LIG    1        4.561  -2.594   0.823  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1        3.203  -2.004   1.265  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   1  14
ATOM     14  O   LIG    1       -2.350   1.233   0.810  0.00  0.00    -0.480 OA
BRANCH  14  21
ATOM     15  O   LIG    1       -6.824   1.653  -2.234  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.761   1.444  -1.656  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.718   2.330  -1.747  0.00  0.00    -0.253 N 
ATOM     18  H   LIG    1       -4.908   3.182  -2.257  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.516   2.293  -1.077  0.00  0.00    +0.260 C 
ATOM     20  O   LIG    1       -2.744   3.247  -1.155  0.00  0.00    -0.271 OA
ATOM     21  C   LIG    1       -3.214   1.002  -0.303  0.00  0.00    +0.259 C 
ATOM     22  C   LIG    1       -4.519   0.441   0.261  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1       -5.507   0.186  -0.862  0.00  0.00    +0.100 C 
ENDBRANCH  14  21
ENDBRANCH   1  14
TORSDOF 3