REMARK  Name = BDB053426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.817   0.304  -0.291  0.00  0.00    +0.190 C 
ATOM      2  N   LIG    1        2.229  -0.680   0.435  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1        2.856  -1.668   1.280  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1        0.874  -0.525   0.356  0.00  0.00    +0.271 C 
ATOM      5  O   LIG    1        0.003  -1.201   0.869  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.736   0.685  -0.510  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -0.388   1.298  -0.904  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.993   1.138  -0.855  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -1.773   0.924  -0.594  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -2.612   1.882  -0.006  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -3.950   1.585   0.265  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -4.437   0.305  -0.052  0.00  0.00    +0.204 A 
ATOM     13  C   LIG    1       -3.615  -0.660  -0.659  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1       -2.285  -0.335  -0.936  0.00  0.00    +0.057 A 
BRANCH  11  15
ATOM     15  O   LIG    1       -4.847   2.451   0.837  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1       -4.410   3.781   1.077  0.00  0.00    +0.277 C 
ENDBRANCH  11  15
BRANCH  12  17
ATOM     17  O   LIG    1       -5.764   0.014   0.180  0.00  0.00    -0.488 OA
ATOM     18  C   LIG    1       -5.909  -0.565   1.475  0.00  0.00    +0.277 C 
ENDBRANCH  12  17
BRANCH  13  19
ATOM     19  O   LIG    1       -4.202  -1.865  -0.950  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1       -3.338  -2.929  -1.328  0.00  0.00    +0.277 C 
ENDBRANCH  13  19
ENDBRANCH   7   9
BRANCH   1  21
ATOM     21  N   LIG    1        4.168   0.451  -0.421  0.00  0.00    -0.317 N 
ATOM     22  H   LIG    1        4.335   1.342  -0.887  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.969  -0.586  -1.062  0.00  0.00    +0.104 C 
BRANCH  23  25
ATOM     24  C   LIG    1        6.977  -0.307   0.465  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        6.455  -0.243  -0.964  0.00  0.00    +0.015 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7