REMARK  Name = BDB033116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.593  -3.492  -1.052  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.598  -2.840  -1.362  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.610  -1.453  -1.476  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.664  -0.811  -2.396  0.00  0.00    +0.130 C 
ATOM      5  C   LIG    1        0.775  -1.312  -2.200  0.00  0.00    +0.089 C 
ATOM      6  C   LIG    1        0.756  -2.827  -2.407  0.00  0.00    +0.033 C 
ATOM      7  C   LIG    1       -0.246  -3.522  -1.496  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1        1.279  -1.011  -0.848  0.00  0.00    -0.324 N 
ATOM      9  H   LIG    1        0.587  -1.277  -0.142  0.00  0.00    +0.148 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.632   0.337  -0.604  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        2.024   0.722   0.695  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        2.312   2.083   0.861  0.00  0.00    +0.076 A 
ATOM     13  C   LIG    1        2.677   2.537   2.122  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        2.774   1.678   3.222  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        2.516   0.314   3.074  0.00  0.00    +0.056 A 
ATOM     16  N   LIG    1        2.250   2.964  -0.140  0.00  0.00    -0.235 NA
ATOM     17  C   LIG    1        1.907   2.481  -1.338  0.00  0.00    +0.223 A 
ATOM     18  C   LIG    1        2.137  -0.153   1.809  0.00  0.00    +0.025 A 
ATOM     19  N   LIG    1        1.599   1.211  -1.624  0.00  0.00    -0.220 NA
BRANCH  15  20
ATOM     20  C   LIG    1        2.606  -0.628   4.250  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        3.466  -0.197   5.214  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        1.406  -0.799   4.867  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        3.033  -1.874   3.901  0.00  0.00    -0.166 F 
ENDBRANCH  15  20
ENDBRANCH   8  10
ENDBRANCH   5   8
BRANCH   3  24
ATOM     24  C   LIG    1       -2.861  -0.755  -1.196  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.632   0.570  -0.492  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -2.108   0.647   0.821  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -1.861   1.915   1.382  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -2.141   3.083   0.674  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -2.676   3.005  -0.606  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.922   1.761  -1.185  0.00  0.00    +0.006 A 
BRANCH  26  31
ATOM     31  C   LIG    1       -1.788  -0.588   1.637  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1       -0.714  -1.280   1.156  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -2.818  -1.472   1.703  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -1.470  -0.304   2.934  0.00  0.00    -0.166 F 
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6