REMARK  Name = BDB042614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.057   0.675   0.787  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.331   2.508   2.159  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1        0.011   1.535   1.476  0.00  0.00    +0.216 C 
ATOM      4  N   LIG    1       -1.314   1.163   1.299  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -2.364   2.005   1.885  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1       -3.672   1.961   1.087  0.00  0.00    +0.126 C 
ATOM      7  N   LIG    1       -4.162   0.596   0.877  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1       -5.524   0.401   0.708  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.338   1.317   0.671  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.168  -0.480   0.912  0.00  0.00    +0.126 C 
ATOM     11  C   LIG    1       -1.760  -0.003   0.527  0.00  0.00    +0.126 C 
BRANCH   8  12
ATOM     12  C   LIG    1       -5.994  -1.007   0.577  0.00  0.00    +0.075 C 
ATOM     13  C   LIG    1       -7.301  -1.312  -0.123  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1       -6.006  -1.678  -0.779  0.00  0.00    +0.013 C 
ENDBRANCH   8  12
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1        2.461   1.268   0.934  0.00  0.00    +0.062 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.492   0.449   0.199  0.00  0.00    +0.020 A 
ATOM     17  N   LIG    1        3.828  -0.769   0.741  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1        3.404  -1.077   1.609  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1        4.748  -1.651   0.211  0.00  0.00    +0.259 A 
ATOM     20  O   LIG    1        4.974  -2.721   0.763  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1        5.420  -1.224  -1.039  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1        5.085   0.024  -1.589  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1        5.710   0.449  -2.768  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        6.659  -0.363  -3.393  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        6.987  -1.602  -2.843  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        6.367  -2.028  -1.669  0.00  0.00    +0.136 A 
ATOM     27  F   LIG    1        6.712  -3.226  -1.177  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        4.086   0.870  -0.929  0.00  0.00    +0.030 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4