REMARK  Name = BDB024558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.525  -0.195   0.345  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.574   0.548  -0.377  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.041   1.825  -0.959  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.988   1.587  -2.147  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.923   2.770  -1.429  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.742   2.715  -0.484  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.242   1.299  -0.479  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.866   0.993  -0.498  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.204   1.845  -0.536  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.291   1.093  -0.518  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.946  -0.250  -0.521  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.438  -0.328  -0.487  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.342  -1.394  -0.466  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.708  -1.082  -0.434  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.174   0.239  -0.420  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.722   0.081   0.373  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.826  -1.416  -0.598  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -2.773  -1.567   0.606  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.883  -2.593   0.348  0.00  0.00    +0.056 C 
ATOM     20  N   LIG    1       -4.591  -2.190  -0.877  0.00  0.00    -0.310 NA
ATOM     21  H   LIG    1       -5.439  -2.755  -0.963  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.658  -2.580  -1.944  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1       -3.202  -3.974  -1.518  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1       -3.351  -3.983   0.003  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1       -2.518  -1.554  -1.970  0.00  0.00    +0.044 C 
ENDBRANCH  11  17
BRANCH   1  27
ATOM     26  C   LIG    1        5.960  -1.935   1.864  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        5.005  -1.220   1.080  0.00  0.00    -0.453 OA
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  C   LIG    1       -2.684   1.662  -0.538  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.184   2.173   0.801  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -4.495   1.881   1.215  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.986   2.368   2.428  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.179   3.165   3.237  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.885   3.481   2.831  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.393   2.994   1.618  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 4