REMARK  Name = BDB028458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.218   0.664  -0.169  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -8.379   0.315  -0.392  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -7.557   0.324   0.871  0.00  0.00    +0.213 C 
ATOM      4  N   LIG    1       -6.193   0.130   0.738  0.00  0.00    -0.299 N 
ATOM      5  C   LIG    1       -5.374   0.053   1.952  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -4.070  -0.722   1.737  0.00  0.00    +0.128 C 
ATOM      7  N   LIG    1       -3.272  -0.173   0.634  0.00  0.00    -0.283 N 
ATOM      8  C   LIG    1       -1.905  -0.064   0.807  0.00  0.00    +0.302 C 
ATOM      9  N   LIG    1       -1.234   0.550  -0.220  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -1.575   0.334  -1.143  0.00  0.00    +0.150 HD
ATOM     11  O   LIG    1       -1.323  -0.457   1.815  0.00  0.00    -0.253 OA
ATOM     12  C   LIG    1       -4.024   0.416  -0.480  0.00  0.00    +0.128 C 
ATOM     13  C   LIG    1       -5.492  -0.035  -0.539  0.00  0.00    +0.127 C 
ATOM     14  O   LIG    1       -8.097   0.504   1.963  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   1  15
ATOM     15  C   LIG    1        0.893  -0.642  -0.608  0.00  0.00    +0.146 C 
BRANCH  15  16
ATOM     16  O   LIG    1        0.654  -0.821  -2.019  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1        1.398  -0.348  -2.447  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1        2.416  -0.672  -0.352  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.137   0.229  -1.284  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        4.359  -0.407  -1.823  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        5.510  -0.507  -0.849  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        5.625   0.398   0.221  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1        6.724   0.314   1.087  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        7.712  -0.648   0.881  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.609  -1.535  -0.187  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.546   1.418   0.475  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1        6.516  -1.463  -1.051  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.518   1.515  -0.666  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5