REMARK  Name = BDB056255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.369  -1.815   2.365  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.884  -0.626   2.968  0.00  0.00    -0.005 A 
ATOM      3  C   LIG    1       -0.518  -0.467   3.107  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -1.008   0.715   3.713  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -0.148   1.718   4.161  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.223   1.563   4.020  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.363  -1.503   2.632  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -0.857  -2.683   2.071  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        1.733   0.405   3.434  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        0.515  -2.840   1.937  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        3.441  -2.536   3.107  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        2.817  -2.040   2.174  0.00  0.00    +0.247 C 
ATOM     13  N   LIG    1        3.381  -1.697   0.940  0.00  0.00    -0.297 N 
ATOM     14  C   LIG    1        4.839  -1.738   0.855  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        5.329  -1.963  -0.572  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        4.738  -0.935  -1.557  0.00  0.00    +0.060 C 
ATOM     17  C   LIG    1        3.205  -1.051  -1.449  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.711  -0.818  -0.024  0.00  0.00    +0.109 C 
BRANCH  16  19
ATOM     19  N   LIG    1        5.215   0.441  -1.305  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1        4.702   1.424  -2.268  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1        5.592   2.638  -2.051  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1        6.890   2.083  -1.485  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        6.674   0.581  -1.391  0.00  0.00    +0.085 C 
ENDBRANCH  16  19
ENDBRANCH   1  12
BRANCH   7  24
ATOM     24  C   LIG    1       -2.833  -1.394   2.714  0.00  0.00    +0.247 C 
ATOM     25  N   LIG    1       -3.505  -0.697   1.710  0.00  0.00    -0.297 N 
ATOM     26  C   LIG    1       -2.867   0.020   0.610  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -3.574  -0.220  -0.724  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1       -5.113  -0.283  -0.606  0.00  0.00    +0.060 C 
ATOM     29  C   LIG    1       -5.594   0.267   0.743  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -4.942  -0.514   1.881  0.00  0.00    +0.109 C 
ATOM     31  O   LIG    1       -3.396  -1.940   3.658  0.00  0.00    -0.270 OA
BRANCH  28  32
ATOM     32  N   LIG    1       -5.858   0.302  -1.728  0.00  0.00    -0.299 NA
ATOM     33  C   LIG    1       -5.568  -0.284  -3.033  0.00  0.00    +0.085 C 
ATOM     34  C   LIG    1       -6.351   0.626  -3.961  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -6.227   2.004  -3.326  0.00  0.00    +0.017 C 
ATOM     36  C   LIG    1       -5.774   1.752  -1.890  0.00  0.00    +0.085 C 
ENDBRANCH  28  32
ENDBRANCH   7  24
TORSDOF 4