REMARK  Name = BDB053874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.396   1.113  -2.770  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        0.757   1.073  -2.024  0.00  0.00    -0.196 N 
ATOM      3  C   LIG    1        1.549   2.082  -2.530  0.00  0.00    +0.178 A 
ATOM      4  C   LIG    1        2.810   2.283  -1.935  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        3.187   1.493  -0.920  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.231   0.429  -0.478  0.00  0.00    +0.092 A 
ATOM      7  N   LIG    1        0.924   2.685  -3.518  0.00  0.00    -0.128 NA
ATOM      8  N   LIG    1        1.058   0.218  -1.002  0.00  0.00    -0.163 NA
ATOM      9  N   LIG    1       -0.301   2.075  -3.671  0.00  0.00    -0.132 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.671  -0.414   0.663  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        3.968  -0.933   0.730  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.342  -1.728   1.817  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.423  -2.006   2.830  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        2.126  -1.498   2.758  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        1.748  -0.705   1.674  0.00  0.00    +0.010 A 
ENDBRANCH   6  10
BRANCH   1  16
ATOM     16  C   LIG    1       -1.543   0.188  -2.571  0.00  0.00    +0.114 C 
BRANCH  16  21
ATOM     17  O   LIG    1       -3.916  -0.511   3.114  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1       -3.240  -0.807   2.135  0.00  0.00    +0.256 A 
ATOM     19  C   LIG    1       -3.184   0.051   0.920  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -2.383  -0.339  -0.178  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -2.355   0.488  -1.323  0.00  0.00    -0.032 A 
ATOM     22  C   LIG    1       -3.121   1.676  -1.326  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -3.901   2.044  -0.231  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -1.618  -1.592  -0.056  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -1.702  -2.335   1.053  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -3.936   1.230   0.894  0.00  0.00    +0.014 A 
ATOM     27  N   LIG    1       -2.486  -1.958   2.106  0.00  0.00    -0.329 N 
ATOM     28  H   LIG    1       -2.538  -2.535   2.937  0.00  0.00    +0.168 HD
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 3