REMARK  Name = BDB022060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.328  -3.142   0.188  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.389  -3.016   1.540  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -1.790  -2.420   1.431  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -1.869  -1.351   0.439  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.781  -0.317   0.695  0.00  0.00    +0.249 C 
ATOM      6  O   LIG    1       -3.383  -0.193   1.760  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.440  -1.686  -0.922  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -0.619  -2.970  -1.000  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.093   0.658  -0.365  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1       -2.118   1.519  -0.859  0.00  0.00    +0.135 A 
ATOM     11  F   LIG    1       -0.861   1.464  -0.400  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.434   2.453  -1.842  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -3.742   2.538  -2.321  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -4.731   1.694  -1.810  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.410   0.757  -0.825  0.00  0.00    +0.016 A 
ENDBRANCH   5   9
BRANCH   1  17
ATOM     16  O   LIG    1        2.590  -2.675  -0.412  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        1.548  -2.223   0.058  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1        1.339  -0.916   0.455  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1        0.408  -0.676   0.784  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.285   0.130   0.498  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.604   0.014   0.058  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        4.481   1.103   0.137  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        4.054   2.333   0.654  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        2.733   2.445   1.107  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        1.861   1.354   1.027  0.00  0.00    +0.024 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.005   3.499   0.758  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1        5.985   3.481  -0.188  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        4.385   4.705   0.624  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        5.645   3.541   1.959  0.00  0.00    -0.166 F 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 4