REMARK  Name = BDB039441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.382   1.067  -0.284  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.580   2.041   0.302  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.910   3.119   0.756  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.202   1.540   0.267  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.197   0.340  -0.431  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.012  -0.354  -0.618  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -0.192   0.166  -0.092  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.141   1.394   0.622  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.058   2.094   0.802  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.573   0.019  -0.906  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.465  -0.568  -0.282  0.00  0.00    +0.074 A 
ATOM     12  N   LIG    1       -1.354  -1.918  -0.244  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1       -2.520  -2.567  -0.399  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1       -3.781  -2.020  -0.603  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -4.684  -3.118  -0.705  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1       -3.956  -4.280  -0.561  0.00  0.00    +0.085 A 
ATOM     17  C   LIG    1       -3.884  -0.617  -0.661  0.00  0.00    -0.021 A 
ATOM     18  N   LIG    1       -2.644  -3.929  -0.376  0.00  0.00    -0.346 N 
ATOM     19  H   LIG    1       -1.867  -4.558  -0.237  0.00  0.00    +0.167 HD
ATOM     20  C   LIG    1       -2.678   0.097  -0.493  0.00  0.00    +0.034 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.178   0.131  -0.883  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.517   0.988   0.260  0.00  0.00    -0.293 NA
ATOM     23  C   LIG    1       -6.856   1.602   0.068  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1       -7.161   1.284   1.549  0.00  0.00    +0.194 C 
ATOM     25  F   LIG    1       -8.418   0.864   1.827  0.00  0.00    -0.243 F 
ATOM     26  C   LIG    1       -6.090   0.183   1.374  0.00  0.00    +0.123 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   7  11
BRANCH   1  33
ATOM     27  O   LIG    1        7.843  -1.679   1.358  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1        7.337  -0.727   0.772  0.00  0.00    +0.219 C 
ATOM     29  N   LIG    1        7.187  -0.741  -0.591  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1        7.525  -1.572  -1.057  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1        6.423   0.107  -1.357  0.00  0.00    +0.240 C 
ATOM     32  O   LIG    1        6.166  -0.181  -2.526  0.00  0.00    -0.273 OA
ATOM     33  C   LIG    1        5.785   1.307  -0.637  0.00  0.00    +0.163 C 
ATOM     34  C   LIG    1        6.661   1.669   0.569  0.00  0.00    +0.041 C 
ATOM     35  C   LIG    1        6.792   0.475   1.503  0.00  0.00    +0.098 C 
ENDBRANCH   1  33
TORSDOF 4