REMARK  Name = BDB046420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.885  -1.164   1.527  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -0.397  -0.639   0.307  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.256  -0.341  -0.779  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.620  -0.528  -0.516  0.00  0.00    +0.174 A 
ATOM      5  C   LIG    1       -3.152  -0.986   0.672  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -4.556  -1.003   0.449  0.00  0.00    +0.193 A 
ATOM      7  N   LIG    1       -4.849  -0.588  -0.796  0.00  0.00    -0.073 NA
ATOM      8  O   LIG    1       -3.637  -0.299  -1.393  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1       -2.275  -1.321   1.715  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.613  -1.432   1.403  0.00  0.00    +0.438 C 
ATOM     11  F   LIG    1       -5.790  -2.780   1.390  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1       -6.827  -0.874   1.155  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -5.300  -1.104   2.688  0.00  0.00    -0.164 F 
ENDBRANCH   6  10
BRANCH   1  14
ATOM     14  C   LIG    1        0.023  -1.623   2.649  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1        1.626  -3.382   3.475  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        0.772  -2.912   2.308  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1        0.964  -0.517   0.128  0.00  0.00    -0.472 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.472   0.777   0.512  0.00  0.00    +0.311 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.187   1.426  -0.668  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.100   2.813  -0.868  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.782   3.423  -1.922  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.565   2.658  -2.783  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.672   1.283  -2.589  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.994   0.671  -1.534  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1        2.477   0.638   1.667  0.00  0.00    +0.351 C 
ATOM     26  O   LIG    1        3.100  -0.359   2.003  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        2.655   1.793   2.352  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        3.343   1.565   3.013  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  17  18
ENDBRANCH   2  17
BRANCH   3  29
ATOM     29  C   LIG    1       -0.777   0.096  -2.137  0.00  0.00    +0.042 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.073   1.572  -2.409  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -0.541   2.004  -3.766  0.00  0.00    +0.004 C 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 10