REMARK  Name = BDB052989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.413   1.077   0.277  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.264   2.375   0.539  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.635   2.440   0.334  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -2.326   3.643   0.560  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.645   4.774   1.006  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.275   4.706   1.234  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.379   1.245  -0.108  0.00  0.00    +0.280 A 
ATOM      8  O   LIG    1       -3.583   1.387  -0.315  0.00  0.00    -0.265 OA
ATOM      9  N   LIG    1       -1.633   0.071  -0.267  0.00  0.00    -0.195 N 
ATOM     10  C   LIG    1        0.416   3.512   1.008  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -0.268   0.023  -0.083  0.00  0.00    -0.147 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.205  -1.189  -0.666  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -1.381  -2.220  -1.156  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -1.904  -3.460  -1.540  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.270  -3.699  -1.443  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.107  -2.698  -0.964  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.580  -1.458  -0.580  0.00  0.00    +0.028 A 
ENDBRANCH   9  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.797   0.994   0.419  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        2.303   1.871   0.420  0.00  0.00    +0.155 HD
BRANCH  18  25
ATOM     20  C   LIG    1        5.416  -2.433   0.578  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1        4.132  -1.693   0.536  0.00  0.00    +0.062 A 
ATOM     22  N   LIG    1        2.972  -2.359   0.544  0.00  0.00    -0.178 NA
ATOM     23  N   LIG    1        2.044  -1.386   0.498  0.00  0.00    -0.264 N 
ATOM     24  H   LIG    1        1.058  -1.629   0.496  0.00  0.00    +0.190 HD
ATOM     25  C   LIG    1        2.570  -0.123   0.457  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        3.933  -0.291   0.487  0.00  0.00    +0.068 A 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 3