REMARK  Name = BDB040813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.914  -0.238  -0.189  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -3.419  -0.908  -1.306  0.00  0.00    +0.132 A 
ATOM      3  F   LIG    1       -4.220  -1.730  -2.000  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.102  -0.744  -1.736  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -1.230   0.113  -1.056  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -1.716   0.784   0.071  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.035   0.608   0.488  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -3.460   1.280   1.568  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1       -8.624   0.266   2.691  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -7.637   0.116   1.977  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1       -6.539  -0.576   2.420  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -6.598  -0.942   3.360  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -5.428  -0.952   1.702  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -4.605  -1.719   2.197  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -5.342  -0.439   0.266  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1       -6.163   0.845   0.098  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -7.594   0.603   0.549  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  N   LIG    1        0.106   0.271  -1.474  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1        0.965   1.403  -1.235  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1        1.894   0.823  -2.322  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        0.637   0.067  -2.797  0.00  0.00    +0.129 C 
BRANCH  20  22
ATOM     22  N   LIG    1        2.909  -0.058  -1.794  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1        2.525  -0.834  -1.261  0.00  0.00    +0.151 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.083   0.417  -1.348  0.00  0.00    +0.308 A 
ATOM     25  O   LIG    1        4.794  -0.411  -0.528  0.00  0.00    -0.405 OA
ATOM     26  C   LIG    1        5.900   0.350  -0.249  0.00  0.00    +0.251 A 
ATOM     27  N   LIG    1        5.861   1.530  -0.834  0.00  0.00    -0.106 NA
ATOM     28  N   LIG    1        4.681   1.571  -1.548  0.00  0.00    -0.092 NA
BRANCH  26  29
ATOM     29  C   LIG    1        6.908  -0.228   0.618  0.00  0.00    +0.057 A 
ATOM     30  C   LIG    1        8.049   0.499   0.946  0.00  0.00    +0.124 A 
ATOM     31  N   LIG    1        9.045   0.045   1.748  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1        8.900  -1.198   2.252  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        7.807  -2.007   1.991  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        6.799  -1.513   1.163  0.00  0.00    +0.016 A 
ENDBRANCH  26  29
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   5  18
TORSDOF 5