REMARK  Name = BDB047775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.643  -0.658   0.643  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -3.959  -0.700   0.232  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -5.243  -0.378   0.696  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -5.524   0.246   1.897  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -6.942   0.353   1.913  0.00  0.00    +0.193 A 
ATOM      6  N   LIG    1       -7.478  -0.177   0.799  0.00  0.00    -0.073 NA
ATOM      7  C   LIG    1       -4.459   0.596   2.738  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.153   0.295   2.322  0.00  0.00    +0.047 A 
ATOM      9  O   LIG    1       -6.411  -0.628   0.044  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1       -2.900  -0.342   1.098  0.00  0.00    +0.127 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -7.787   0.940   2.987  0.00  0.00    +0.438 C 
ATOM     12  F   LIG    1       -8.998   1.376   2.551  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -7.186   2.011   3.576  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1       -8.027   0.046   3.985  0.00  0.00    -0.164 F 
ENDBRANCH   5  11
BRANCH   2  15
ATOM     15  C   LIG    1       -3.740  -1.373  -1.099  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -2.790   0.613  -2.393  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -3.897  -0.426  -2.294  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  C   LIG    1       -0.532  -0.382   1.494  0.00  0.00    +0.231 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.740  -0.896   0.827  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.977  -0.235  -0.529  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.250  -0.635  -1.110  0.00  0.00    -0.347 N 
ATOM     22  C   LIG    1        3.468  -0.030  -0.873  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        4.419  -0.733  -1.618  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.769  -0.333  -1.557  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        6.142   0.764  -0.761  0.00  0.00    -0.036 A 
ATOM     26  C   LIG    1        5.166   1.443  -0.024  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        3.734  -1.768  -2.311  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        3.821   1.062  -0.066  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1        2.401  -1.683  -1.982  0.00  0.00    +0.087 A 
BRANCH  25  30
ATOM     30  C   LIG    1        7.589   1.193  -0.690  0.00  0.00    +0.155 C 
BRANCH  30  31
ATOM     31  C   LIG    1        8.322   0.690   0.529  0.00  0.00    +0.309 C 
ATOM     32  O   LIG    1        7.863   0.163   1.528  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        9.652   0.916   0.442  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       10.002   0.555   1.284  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11