REMARK  Name = BDB025640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.885   1.432   0.510  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1        0.340   2.128   0.712  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        0.358   3.519   0.849  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -0.837   4.235   0.802  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -2.034   3.558   0.620  0.00  0.00    +0.125 A 
ATOM      6  F   LIG    1       -3.181   4.249   0.573  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1       -2.068   2.173   0.475  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1  15
ATOM      8  C   LIG    1       -1.692  -1.099  -3.223  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1       -2.018  -0.654  -1.788  0.00  0.00    +0.071 C 
ATOM     10  N   LIG    1       -2.858  -1.650  -1.054  0.00  0.00    -0.297 NA
ATOM     11  C   LIG    1       -4.130  -1.888  -1.747  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.084  -1.180   0.347  0.00  0.00    +0.071 C 
ATOM     13  C   LIG    1       -3.811  -2.235   1.199  0.00  0.00    +0.026 C 
ATOM     14  C   LIG    1       -1.771  -0.809   1.101  0.00  0.00    +0.123 C 
ATOM     15  N   LIG    1       -0.837   0.036   0.336  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1       -0.667  -0.394  -1.067  0.00  0.00    +0.123 C 
ENDBRANCH   1  15
BRANCH   2  17
ATOM     17  N   LIG    1        1.496   1.320   0.796  0.00  0.00    -0.280 N 
ATOM     18  H   LIG    1        1.271   0.331   0.716  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        2.789   1.710   1.031  0.00  0.00    +0.250 C 
ATOM     20  O   LIG    1        3.218   2.843   1.197  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.719   0.550   1.127  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1        4.187  -0.210  -0.026  0.00  0.00    +0.073 A 
ATOM     23  C   LIG    1        5.040  -1.236   0.166  0.00  0.00    +0.083 A 
ATOM     24  C   LIG    1        5.499  -1.594   1.531  0.00  0.00    +0.249 A 
ATOM     25  O   LIG    1        6.263  -2.532   1.716  0.00  0.00    -0.268 OA
ATOM     26  N   LIG    1        5.012  -0.811   2.548  0.00  0.00    -0.328 N 
ATOM     27  H   LIG    1        5.339  -1.044   3.479  0.00  0.00    +0.168 HD
ATOM     28  C   LIG    1        4.150   0.240   2.360  0.00  0.00    +0.099 A 
BRANCH  22  29
ATOM     29  C   LIG    1        3.724   0.193  -1.391  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1        2.399  -0.053  -1.556  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        4.361  -0.496  -2.375  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        3.927   1.507  -1.648  0.00  0.00    -0.166 F 
ENDBRANCH  22  29
ENDBRANCH  19  21
ENDBRANCH   2  17
TORSDOF 4