REMARK  Name = BDB009117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.662  -3.423   0.608  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.751  -2.603   0.657  0.00  0.00    +0.268 A 
ATOM      3  C   LIG    1        2.948  -1.187   0.255  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        4.319  -0.818  -0.242  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1        4.348   0.538  -0.951  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        3.554   1.575  -0.168  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1        2.094   1.144   0.007  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.931  -0.311   0.344  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1        0.616  -0.862   0.792  0.00  0.00    +0.066 A 
ATOM     10  N   LIG    1        0.428  -2.093   1.158  0.00  0.00    -0.176 NA
ATOM     11  N   LIG    1        1.498  -2.929   1.101  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1        1.343  -3.892   1.378  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -0.617   0.035   0.826  0.00  0.00    +0.074 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.715  -0.468  -0.131  0.00  0.00    +0.129 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.033   0.234   0.179  0.00  0.00    -0.035 A 
ATOM     16  C   LIG    1       -3.223   1.603  -0.068  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.438   2.219   0.240  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.475   1.479   0.802  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.299   0.122   1.059  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.086  -0.497   0.753  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
BRANCH  14  21
ATOM     21  C   LIG    1       -1.286  -0.324  -1.593  0.00  0.00    +0.397 C 
ATOM     22  F   LIG    1       -2.266  -0.694  -2.447  0.00  0.00    -0.170 F 
ATOM     23  F   LIG    1       -0.933   0.948  -1.893  0.00  0.00    -0.170 F 
ATOM     24  F   LIG    1       -0.212  -1.099  -1.869  0.00  0.00    -0.170 F 
ENDBRANCH  14  21
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 4