REMARK  Name = BDB041025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.093  -1.099   0.867  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.585   0.294   0.783  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -2.248   0.757   0.641  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.906   0.093   0.574  0.00  0.00    +0.083 C 
ATOM      5  C   LIG    1        0.173   1.093   0.073  0.00  0.00    +0.171 C 
ATOM      6  C   LIG    1       -0.023   2.518   0.659  0.00  0.00    +0.240 C 
ATOM      7  N   LIG    1       -1.306   3.008   0.732  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -1.423   3.975   1.008  0.00  0.00    +0.156 HD
ATOM      9  O   LIG    1        0.931   3.233   0.979  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1       -2.357   2.127   0.705  0.00  0.00    +0.127 A 
ATOM     11  N   LIG    1       -3.684   2.419   0.812  0.00  0.00    -0.253 N 
ATOM     12  C   LIG    1       -4.310   3.715   0.897  0.00  0.00    +0.174 C 
ATOM     13  N   LIG    1       -4.452   1.315   0.866  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -1.049  -1.138  -0.303  0.00  0.00    -0.035 A 
ATOM     15  C   LIG    1       -0.768  -2.405   0.235  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -0.880  -3.545  -0.556  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1       -0.614  -4.744  -0.021  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -1.266  -3.461  -1.887  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -1.541  -2.213  -2.440  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -1.431  -1.060  -1.657  0.00  0.00    +0.004 A 
ENDBRANCH   4  14
BRANCH   5  21
ATOM     21  N   LIG    1        1.542   0.674   0.419  0.00  0.00    -0.299 N 
ATOM     22  H   LIG    1        2.026   1.285   1.070  0.00  0.00    +0.150 HD
ATOM     23  C   LIG    1        2.315  -0.038  -0.471  0.00  0.00    +0.245 C 
ATOM     24  O   LIG    1        1.899  -0.449  -1.547  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.737  -0.261  -0.085  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.669  -0.523  -1.099  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        6.013  -0.743  -0.784  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        6.425  -0.709   0.546  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        8.078  -0.979   0.936  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        5.505  -0.462   1.565  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        4.160  -0.242   1.252  0.00  0.00    +0.014 A 
ENDBRANCH  23  25
ENDBRANCH   5  21
TORSDOF 3