REMARK  Name = BDB048646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.079   0.117   0.439  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.825  -0.743   1.074  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        2.163  -0.787   0.673  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.624   0.029  -0.369  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1        1.718   0.884  -1.009  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.381   0.928  -0.608  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.524   0.179   0.871  0.00  0.00    +0.264 C 
BRANCH   7   8
ATOM      8  O   LIG    1       -2.334  -0.305  -0.200  0.00  0.00    -0.487 OA
BRANCH   8  13
ATOM      9  C   LIG    1       -7.865  -0.278   0.484  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -6.500  -0.382   0.071  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -5.739   0.077   1.138  0.00  0.00    +0.139 A 
ATOM     12  C   LIG    1       -4.345   0.143   1.148  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1       -3.692  -0.290  -0.010  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1       -4.427  -0.760  -1.106  0.00  0.00    +0.046 A 
ATOM     15  O   LIG    1       -6.547   0.451   2.167  0.00  0.00    -0.463 OA
ATOM     16  C   LIG    1       -5.829  -0.814  -1.086  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1       -7.825   0.239   1.764  0.00  0.00    +0.200 A 
BRANCH   9  18
ATOM     18  C   LIG    1       -9.081  -0.651  -0.294  0.00  0.00    +0.159 C 
BRANCH  18  20
ATOM     19  O   LIG    1       -9.203   1.628  -1.216  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1       -9.575   0.467  -1.181  0.00  0.00    +0.309 C 
BRANCH  20  21
ATOM     21  O   LIG    1      -10.571   0.056  -1.996  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1      -10.805   0.863  -2.502  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   4  23
ATOM     23  C   LIG    1        4.066  -0.042  -0.815  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  O   LIG    1        4.909   0.212   0.309  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1        6.259   0.157   0.102  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        6.897  -0.127  -1.105  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        8.295  -0.150  -1.174  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        9.075   0.104  -0.035  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        8.427   0.397   1.171  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1        7.031   0.419   1.236  0.00  0.00    +0.046 A 
BRANCH  28  31
ATOM     31  C   LIG    1       10.582   0.100  -0.119  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       11.084   1.316  -0.469  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       11.062  -0.781  -1.042  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       11.184  -0.231   1.057  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 10