REMARK  Name = BDB008459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.475  -0.889  -0.654  0.00  0.00    +0.222 C 
ATOM      2  N   LIG    1       -1.143  -0.494  -0.540  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.174  -1.457  -1.090  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.173  -1.170  -0.543  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        1.603   0.007   0.023  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        0.724   1.122   0.147  0.00  0.00    +0.088 A 
ATOM      7  N   LIG    1        1.033   2.273   0.654  0.00  0.00    -0.174 NA
ATOM      8  N   LIG    1        2.229   2.654   1.185  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        2.212   3.612   1.526  0.00  0.00    +0.192 HD
ATOM     10  C   LIG    1        3.473   2.089   1.390  0.00  0.00    +0.272 A 
ATOM     11  C   LIG    1        3.846   0.715   1.014  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        5.145   0.234   1.266  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        5.514  -1.067   0.916  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        4.604  -1.934   0.304  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.318  -1.443   0.060  0.00  0.00    +0.048 A 
ATOM     16  O   LIG    1        4.335   2.793   1.927  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        2.936  -0.144   0.404  0.00  0.00    +0.021 A 
ATOM     18  N   LIG    1        2.220  -2.052  -0.516  0.00  0.00    -0.356 N 
ATOM     19  H   LIG    1        2.203  -3.005  -0.857  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1       -0.693   0.912  -0.418  0.00  0.00    +0.166 C 
ATOM     21  O   LIG    1       -2.733  -1.994  -1.150  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  23
ATOM     22  C   LIG    1       -3.539   0.263   1.357  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -3.647   0.002  -0.153  0.00  0.00    +0.039 C 
ATOM     24  C   LIG    1       -4.966  -0.788  -0.368  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1       -3.787   1.301  -0.960  0.00  0.00    +0.020 C 
ENDBRANCH   1  23
TORSDOF 1