REMARK  Name = BDB050161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.685  -1.738  -0.840  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -0.617  -1.609  -0.813  0.00  0.00    -0.149 NA
ATOM      3  N   LIG    1       -1.306  -2.790  -0.738  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1       -0.769  -4.066  -0.708  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1       -1.701  -4.992  -0.652  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -2.882  -4.299  -0.650  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1        0.635  -4.178  -0.755  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -2.683  -2.929  -0.692  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1        1.377  -3.068  -0.824  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.655  -1.835  -0.713  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.478  -0.688   0.076  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -4.416   0.355   0.069  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -5.547   0.240  -0.739  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -5.740  -0.900  -1.524  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.801  -1.932  -1.509  0.00  0.00    +0.010 A 
BRANCH  12  16
ATOM     16  N   LIG    1       -4.150   1.465   0.899  0.00  0.00    -0.286 N 
ATOM     17  H   LIG    1       -3.297   1.412   1.442  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -4.910   2.611   1.045  0.00  0.00    +0.214 C 
ATOM     19  O   LIG    1       -5.947   2.892   0.455  0.00  0.00    -0.276 OA
ATOM     20  C   LIG    1       -4.303   3.575   2.034  0.00  0.00    +0.109 C 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     21  N   LIG    1        1.405  -0.569  -0.940  0.00  0.00    -0.298 N 
ATOM     22  H   LIG    1        0.781   0.228  -1.037  0.00  0.00    +0.154 HD
BRANCH  21  25
ATOM     23  C   LIG    1        4.468   1.240   0.152  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1        3.349   0.826  -0.587  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        2.521  -0.219  -0.145  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        2.819  -0.836   1.072  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        3.927  -0.430   1.817  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.748   0.601   1.358  0.00  0.00    +0.023 A 
BRANCH  23  31
ATOM     29  C   LIG    1        6.944   3.955  -0.712  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        6.381   2.859   0.160  0.00  0.00    +0.214 C 
ATOM     31  N   LIG    1        5.243   2.291  -0.385  0.00  0.00    -0.286 N 
ATOM     32  H   LIG    1        4.934   2.661  -1.274  0.00  0.00    +0.155 HD
ATOM     33  O   LIG    1        6.935   2.545   1.206  0.00  0.00    -0.276 OA
ENDBRANCH  23  31
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 5