REMARK  Name = BDB033126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.489  -1.228  -1.134  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.778  -0.400  -1.412  0.00  0.00    +0.094 C 
ATOM      3  N   LIG    1       -1.899  -1.228  -1.821  0.00  0.00    -0.293 N 
ATOM      4  C   LIG    1       -2.120  -1.204  -3.187  0.00  0.00    +0.216 C 
ATOM      5  O   LIG    1       -2.971  -1.824  -3.802  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -1.090  -0.292  -3.801  0.00  0.00    +0.098 C 
ATOM      7  C   LIG    1       -0.621   0.537  -2.610  0.00  0.00    +0.033 C 
BRANCH   3   8
ATOM      8  C   LIG    1       -2.718  -1.977  -0.884  0.00  0.00    +0.143 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.634  -1.073  -0.097  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1       -3.369  -0.773   1.248  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -4.211   0.086   1.976  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -5.326   0.646   1.338  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -5.596   0.355   0.001  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.754  -0.498  -0.713  0.00  0.00    +0.005 A 
BRANCH  11  15
ATOM     15  C   LIG    1       -3.897   0.400   3.418  0.00  0.00    +0.417 C 
ATOM     16  F   LIG    1       -3.785  -0.721   4.184  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -2.715   1.063   3.556  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -4.834   1.177   4.028  0.00  0.00    -0.166 F 
ENDBRANCH  11  15
ENDBRANCH   8   9
ENDBRANCH   3   8
ENDBRANCH   1   2
BRANCH   1  21
ATOM     19  O   LIG    1        2.599  -2.252   0.390  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        2.585  -1.051   0.135  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        1.568  -0.433  -0.567  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        1.785   0.447  -1.016  0.00  0.00    +0.149 HD
BRANCH  20  23
ATOM     23  C   LIG    1        3.741  -0.208   0.551  0.00  0.00    +0.079 A 
ATOM     24  C   LIG    1        4.974  -0.815   0.830  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        6.075  -0.050   1.204  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        5.955   1.335   1.323  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        4.728   1.967   1.070  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1        3.620   1.183   0.695  0.00  0.00    +0.029 A 
BRANCH  27  29
ATOM     29  C   LIG    1        4.584   3.462   1.238  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        4.153   3.803   2.482  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        5.745   4.141   1.037  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        3.682   3.998   0.369  0.00  0.00    -0.166 F 
ENDBRANCH  27  29
BRANCH  24  33
ATOM     33  O   LIG    1        5.177  -2.168   0.759  0.00  0.00    -0.506 OA
ATOM     34  H   LIG    1        4.301  -2.602   0.644  0.00  0.00    +0.292 HD
ENDBRANCH  24  33
ENDBRANCH  20  23
ENDBRANCH   1  21
TORSDOF 8