REMARK  Name = BDB054420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.808  -0.765   0.411  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.478  -0.610   0.026  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -1.193  -1.708  -0.282  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -0.628  -2.980  -0.222  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.693  -3.130   0.191  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.428  -2.001   0.522  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        4.683   0.985  -1.021  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1        3.534   0.360  -0.717  0.00  0.00    +0.139 A 
ATOM      9  N   LIG    1        2.681   0.925   0.235  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        2.950   2.148   0.855  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        1.988   2.499   1.679  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        1.062   1.493   1.593  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        4.156   2.817   0.500  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        1.476   0.479   0.747  0.00  0.00    +0.092 A 
ATOM     15  C   LIG    1        4.988   2.266  -0.405  0.00  0.00    +0.051 A 
BRANCH   7  17
ATOM     16  C   LIG    1        6.719  -0.052  -1.396  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        5.547   0.516  -1.980  0.00  0.00    -0.494 OA
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  18
ATOM     18  N   LIG    1       -2.518  -1.597  -0.730  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -3.105  -2.257  -0.230  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.094  -0.242  -0.766  0.00  0.00    +0.074 C 
ATOM     21  C   LIG    1       -4.316  -0.256  -1.702  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -5.616  -0.400  -0.920  0.00  0.00    +0.082 C 
ATOM     23  N   LIG    1       -5.833   0.705   0.015  0.00  0.00    -0.316 NA
ATOM     24  H   LIG    1       -6.476   0.407   0.749  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -4.605   1.241   0.602  0.00  0.00    +0.082 C 
ATOM     26  C   LIG    1       -3.467   0.231   0.648  0.00  0.00    +0.037 C 
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 4