REMARK  Name = BDB045913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.631   0.601   1.066  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1        0.117  -0.156   0.004  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -1.274  -0.219  -0.175  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -2.147   0.419   0.721  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -1.611   1.131   1.802  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.230   1.221   1.974  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.968  -0.907  -0.964  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        2.207  -1.299  -0.512  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.509  -0.953   0.392  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.549  -1.156  -2.090  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.209  -1.851  -1.389  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.166  -0.774  -1.835  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.342  -0.518  -1.117  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        6.205   0.506  -1.516  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.903   1.302  -2.632  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        4.725   1.044  -3.348  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        3.862   0.021  -2.949  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1        6.848   2.392  -3.072  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        7.477   3.002  -2.027  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        7.838   1.927  -3.883  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        6.234   3.390  -3.767  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  23
ATOM     22  C   LIG    1        2.477   1.890   0.616  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        1.981   0.725   1.287  0.00  0.00    -0.494 OA
ENDBRANCH   1  23
BRANCH   4  24
ATOM     24  C   LIG    1       -3.646   0.304   0.547  0.00  0.00    +0.050 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.286  -0.752   1.472  0.00  0.00    +0.104 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.838  -0.780   1.399  0.00  0.00    -0.003 C 
ATOM     27  C   LIG    1       -6.466   0.584   1.709  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1       -6.419  -1.818   2.372  0.00  0.00    +0.008 C 
ENDBRANCH  25  26
BRANCH  25  29
ATOM     29  C   LIG    1       -3.716  -2.116   1.133  0.00  0.00    +0.308 C 
ATOM     30  O   LIG    1       -3.033  -2.810   1.870  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -4.027  -2.541  -0.107  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -3.569  -3.405  -0.181  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 10