REMARK  Name = BDB034178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.221  -1.052  -1.421  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.821  -1.952  -1.942  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1        2.106  -1.856  -1.100  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        2.495  -0.429  -0.801  0.00  0.00    -0.037 C 
ATOM      5  C   LIG    1        1.623   0.572  -1.022  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1        0.223   0.349  -1.528  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.850  -0.159  -0.288  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1        5.009  -0.602  -0.933  0.00  0.00    +0.221 A 
ATOM      9  F   LIG    1        4.898  -1.261  -2.098  0.00  0.00    -0.183 F 
ATOM     10  N   LIG    1        6.266  -0.389  -0.489  0.00  0.00    -0.214 NA
ATOM     11  C   LIG    1        6.391   0.301   0.667  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        5.308   0.788   1.393  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.024   0.553   0.904  0.00  0.00    +0.015 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.789   0.522   1.159  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.048   1.774   1.698  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.403   2.527   1.494  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.393   2.132   2.073  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.637  -0.358   1.071  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.491  -1.268  -2.133  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.429   0.939   1.343  0.00  0.00    +0.260 C 
ATOM     21  C   LIG    1       -5.459   0.288   2.345  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1       -5.681   0.212   3.551  0.00  0.00    -0.271 OA
ATOM     23  N   LIG    1       -4.349  -0.287   1.791  0.00  0.00    -0.278 N 
ATOM     24  H   LIG    1       -3.728  -0.793   2.409  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1       -4.059  -0.133   0.436  0.00  0.00    +0.096 A 
ATOM     26  C   LIG    1       -4.840   0.684  -0.377  0.00  0.00    +0.237 A 
ATOM     27  N   LIG    1       -4.585   0.885  -1.686  0.00  0.00    -0.219 NA
ATOM     28  C   LIG    1       -3.513   0.244  -2.205  0.00  0.00    +0.119 A 
ATOM     29  C   LIG    1       -2.664  -0.583  -1.475  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -2.958  -0.774  -0.120  0.00  0.00    +0.035 A 
ATOM     31  O   LIG    1       -5.906   1.397   0.101  0.00  0.00    -0.462 OA
BRANCH  20  33
ATOM     32  C   LIG    1       -8.721   0.619   0.286  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1       -7.596  -0.027   1.083  0.00  0.00    +0.051 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5