REMARK  Name = BDB039306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.394   0.112  -1.257  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.988  -0.974  -2.019  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.591  -1.526  -2.918  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.655  -1.354  -1.539  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.332  -0.533  -0.461  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.118  -0.679   0.189  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.232  -1.672  -0.266  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1        0.581  -2.494  -1.361  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.809  -2.339  -2.010  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.456   0.409  -0.181  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        9.124   2.407   0.285  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.174   1.851  -0.257  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.850   0.551   0.041  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.396   0.143   0.788  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.622  -0.036  -0.161  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        6.268  -0.988   0.531  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.771   0.593  -1.278  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        5.861   2.112  -1.173  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.315   2.541  -1.291  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.067  -1.850   0.400  0.00  0.00    +0.055 A 
ATOM     21  N   LIG    1       -1.199  -2.494   1.639  0.00  0.00    -0.299 N 
ATOM     22  C   LIG    1       -2.414  -2.650   2.290  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1       -2.126  -3.313   3.460  0.00  0.00    +0.138 A 
ATOM     24  N   LIG    1       -0.783  -3.580   3.552  0.00  0.00    -0.243 NA
ATOM     25  C   LIG    1       -3.581  -2.136   1.665  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -3.483  -1.506   0.472  0.00  0.00    -0.029 A 
ATOM     27  C   LIG    1       -0.258  -3.087   2.451  0.00  0.00    +0.204 A 
ATOM     28  C   LIG    1       -2.181  -1.362  -0.188  0.00  0.00    +0.031 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -4.704  -0.969  -0.246  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -5.189   0.316   0.290  0.00  0.00    -0.298 NA
ATOM     31  C   LIG    1       -6.529   0.607  -0.247  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1       -7.101   1.899   0.338  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -6.165   3.075   0.097  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -4.762   2.742   0.589  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1       -4.261   1.421   0.001  0.00  0.00    +0.085 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   7  20
TORSDOF 4