REMARK  Name = BDB006073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.889   2.235  -0.541  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        5.746   1.795  -0.493  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        5.452   0.516   0.168  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        4.139   0.082   0.183  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        3.753  -1.120   0.794  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1        2.410  -1.575   0.822  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1        1.524  -0.812   0.241  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1        1.849   0.371  -0.382  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        1.079   0.905  -0.773  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        4.748  -1.891   1.397  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        6.084  -1.466   1.388  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.104   0.903  -0.456  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1        3.366   2.036  -1.036  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1        6.440  -0.261   0.774  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        4.669   2.458  -1.044  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1        4.854   3.343  -1.506  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        0.060  -1.248   0.219  0.00  0.00    +0.155 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -0.791  -0.043   0.219  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1       -0.681   0.422   1.124  0.00  0.00    +0.122 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.202  -0.422   0.055  0.00  0.00    +0.086 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.097   0.825   0.065  0.00  0.00    +0.053 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.557   0.469  -0.050  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1       -5.108   0.123  -1.288  0.00  0.00    +0.127 A 
ATOM     24  F   LIG    1       -4.334   0.115  -2.383  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -6.450  -0.222  -1.413  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -7.268  -0.228  -0.285  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -6.736   0.110   0.960  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.387   0.455   1.079  0.00  0.00    +0.006 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 5