REMARK  Name = BDB004095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.319   0.336   0.225  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1       -0.806  -0.592  -0.689  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        0.571  -0.831  -0.753  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        1.461  -0.148   0.091  0.00  0.00    -0.002 A 
ATOM      5  C   LIG    1        0.938   0.779   1.009  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -0.438   1.019   1.073  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.971  -0.427  -0.004  0.00  0.00    +0.212 C 
ATOM      8  C   LIG    1        3.478  -1.030   1.333  0.00  0.00    +0.261 C 
ATOM      9  O   LIG    1        2.788  -1.775   2.037  0.00  0.00    -0.272 OA
ATOM     10  N   LIG    1        4.774  -0.828   1.736  0.00  0.00    -0.253 N 
ATOM     11  H   LIG    1        4.901  -1.523   2.468  0.00  0.00    +0.158 HD
ATOM     12  C   LIG    1        5.814  -0.934   0.853  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1        6.521  -1.934   0.810  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        6.114   0.316   0.064  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1        5.075   0.665  -0.981  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1        3.675   0.883  -0.407  0.00  0.00    +0.055 C 
ATOM     17  F   LIG    1        3.227  -1.328  -1.011  0.00  0.00    -0.227 F 
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -2.774   0.632   0.337  0.00  0.00    +0.340 C 
ATOM     19  O   LIG    1       -3.225   1.466   1.104  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -3.477  -0.144  -0.520  0.00  0.00    -0.455 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -5.576  -0.437   0.735  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -4.923  -0.046  -0.595  0.00  0.00    +0.106 C 
ATOM     23  C   LIG    1       -5.363   1.345  -1.063  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -5.328  -1.074  -1.662  0.00  0.00    +0.055 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4