REMARK  Name = BDB048640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.715  -0.198   1.144  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1       -1.486  -1.300   0.707  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1       -1.789  -2.328   1.622  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.382  -2.252   2.953  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.662  -1.149   3.393  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.335  -0.131   2.498  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -0.334   0.934   0.203  0.00  0.00    +0.265 C 
BRANCH   7   8
ATOM      8  O   LIG    1        0.809   1.685   0.636  0.00  0.00    -0.487 OA
BRANCH   8  13
ATOM      9  C   LIG    1        6.094   0.654  -0.734  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.688   0.610  -0.485  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        4.348   1.855   0.027  0.00  0.00    +0.139 A 
ATOM     12  C   LIG    1        3.058   2.221   0.402  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1        2.051   1.263   0.239  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1        2.357  -0.008  -0.258  0.00  0.00    +0.046 A 
ATOM     15  O   LIG    1        5.450   2.648   0.107  0.00  0.00    -0.463 OA
ATOM     16  C   LIG    1        3.669  -0.349  -0.627  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        6.498   1.918  -0.350  0.00  0.00    +0.200 A 
BRANCH   9  18
ATOM     18  C   LIG    1        6.951  -0.426  -1.291  0.00  0.00    +0.159 C 
BRANCH  18  20
ATOM     19  O   LIG    1        6.499  -2.598  -0.287  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1        7.135  -1.556  -0.313  0.00  0.00    +0.309 C 
BRANCH  20  21
ATOM     21  O   LIG    1        8.100  -1.318   0.598  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1        8.074  -2.102   1.186  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   9  18
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  23
ATOM     23  C   LIG    1       -1.970  -1.455  -0.723  0.00  0.00    +0.265 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.558  -0.268  -1.257  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.872   0.002  -0.998  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1       -4.711  -0.708  -0.142  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -6.041  -0.308   0.033  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -6.550   0.813  -0.639  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1       -5.703   1.518  -1.503  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1       -4.375   1.117  -1.673  0.00  0.00    +0.046 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -7.991   1.227  -0.465  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       -8.189   2.564  -0.633  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -8.486   0.930   0.769  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -8.816   0.612  -1.356  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 10