REMARK  Name = BDB053417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.059  -0.490  -0.423  0.00  0.00    +0.195 C 
ATOM      2  N   LIG    1       -0.956  -1.652   0.304  0.00  0.00    -0.207 N 
ATOM      3  C   LIG    1        0.384  -1.865   0.540  0.00  0.00    +0.276 C 
ATOM      4  O   LIG    1        0.975  -2.744   1.143  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.032  -0.735  -0.185  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        2.362  -0.578  -0.203  0.00  0.00    +0.041 C 
ATOM      7  N   LIG    1        0.075   0.063  -0.758  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        3.109   0.504  -0.864  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1        4.282   0.976  -0.252  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        5.000   1.966  -0.891  0.00  0.00    +0.167 A 
ATOM     11  O   LIG    1        6.147   2.536  -0.431  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1        6.426   3.474  -1.492  0.00  0.00    +0.466 C 
ATOM     13  O   LIG    1        5.453   3.445  -2.556  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1        4.606   2.484  -2.100  0.00  0.00    +0.166 A 
ATOM     15  C   LIG    1        3.472   2.038  -2.741  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        2.724   1.034  -2.116  0.00  0.00    +0.012 A 
ENDBRANCH   6   8
BRANCH   2  17
ATOM     17  C   LIG    1       -1.983  -2.568   0.661  0.00  0.00    +0.044 A 
ATOM     18  C   LIG    1       -1.821  -3.452   1.740  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -2.825  -4.360   2.093  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.010  -4.410   1.366  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.186  -3.556   0.283  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.180  -2.648  -0.067  0.00  0.00    +0.024 A 
ENDBRANCH   2  17
BRANCH   1  23
ATOM     23  N   LIG    1       -2.222   0.142  -0.779  0.00  0.00    -0.316 N 
ATOM     24  H   LIG    1       -1.981   0.888  -1.431  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.109   0.680   0.255  0.00  0.00    +0.104 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -3.463   2.555   1.900  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -2.527   1.956   0.862  0.00  0.00    +0.015 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 5