REMARK  Name = BDB051725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.467   0.182   1.066  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -0.574  -0.443   0.505  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -1.732   0.234   0.499  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -2.898  -0.414  -0.071  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -2.998  -1.531  -0.843  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1       -1.933  -2.395  -1.296  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1       -4.266  -1.802  -1.215  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1       -5.016  -0.833  -0.654  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1       -4.186   0.069   0.068  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.467   1.304   0.856  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.226   2.232   0.918  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -1.909   1.504   1.027  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -0.772   2.058   1.554  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        0.412   1.419   1.588  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -6.478  -0.810  -0.819  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -7.084  -1.238  -1.798  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -7.186  -0.298   0.241  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -6.766  -0.315   1.159  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -8.181  -0.473   0.188  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1        1.652  -0.534   1.079  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        1.546  -1.288   0.409  0.00  0.00    +0.149 HD
BRANCH  20  26
ATOM     22  C   LIG    1        6.650  -0.208  -0.806  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        5.197  -0.355  -0.854  0.00  0.00    -0.305 NA
ATOM     24  C   LIG    1        4.706  -1.325   0.134  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        4.072  -0.681   1.363  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1        2.893   0.231   0.982  0.00  0.00    +0.076 C 
ATOM     27  C   LIG    1        3.062   0.822  -0.427  0.00  0.00    +0.037 C 
ATOM     28  C   LIG    1        4.538   0.955  -0.784  0.00  0.00    +0.086 C 
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 3