REMARK  Name = BDB031539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.635   1.011  -2.169  0.00  0.00    +0.204 C 
ATOM      2  C   LIG    1        0.607   1.760  -3.076  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        0.445   1.168  -4.471  0.00  0.00    +0.028 C 
ATOM      4  N   LIG    1       -0.431   1.464  -2.059  0.00  0.00    -0.288 NA
ATOM      5  C   LIG    1        0.382   0.351  -1.534  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  O   LIG    1        2.445   1.867  -1.325  0.00  0.00    -0.484 OA
BRANCH   6  11
ATOM      7  C   LIG    1        5.027   0.458   1.565  0.00  0.00    +0.161 A 
ATOM      8  C   LIG    1        4.400  -0.481   0.752  0.00  0.00    +0.157 A 
ATOM      9  F   LIG    1        4.614  -1.799   0.889  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.518  -0.057  -0.241  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1        3.276   1.302  -0.397  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1        3.939   2.179   0.455  0.00  0.00    +0.157 A 
ATOM     13  N   LIG    1        4.803   1.794   1.425  0.00  0.00    -0.244 NA
BRANCH   7  17
ATOM     14  C   LIG    1        7.118  -1.738   3.888  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        6.268  -1.280   2.818  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        5.752  -1.971   2.284  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        5.993   0.069   2.652  0.00  0.00    +0.265 C 
ATOM     18  O   LIG    1        6.514   0.922   3.366  0.00  0.00    -0.268 OA
ENDBRANCH   7  17
ENDBRANCH   6  11
ENDBRANCH   1   6
BRANCH   4  19
ATOM     19  C   LIG    1       -1.720   1.021  -2.583  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.711   0.760  -1.475  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -3.255  -0.512  -1.260  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -4.168  -0.689  -0.228  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -4.515   0.407   0.559  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -5.474   0.222   1.643  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -6.019  -0.983   1.884  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1       -5.644  -2.161   1.036  0.00  0.00    +0.252 A 
ATOM     27  O   LIG    1       -6.121  -3.274   1.228  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1       -7.005  -1.238   2.978  0.00  0.00    +0.049 C 
ATOM     29  N   LIG    1       -4.014   1.646   0.381  0.00  0.00    -0.253 NA
ATOM     30  N   LIG    1       -4.739  -1.941   0.028  0.00  0.00    -0.321 N 
ATOM     31  H   LIG    1       -4.500  -2.746  -0.533  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.121   1.792  -0.627  0.00  0.00    +0.116 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5