REMARK  Name = BDB047150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.500  -1.928  -0.557  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        1.748  -1.263  -0.436  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.925  -1.956  -0.745  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        2.873  -3.289  -1.157  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.633  -3.935  -1.261  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.442  -3.262  -0.962  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.749   0.088  -0.008  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        2.389   0.270   1.317  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        2.587   1.772   1.619  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        3.414   2.500   0.632  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        4.741   2.813   1.154  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        3.515   1.767  -0.648  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        2.209   1.044  -1.050  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1       -1.960  -1.484  -0.320  0.00  0.00    +0.248 C 
ATOM     15  N   LIG    1       -0.629  -1.144  -0.240  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -0.366  -0.192   0.004  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -2.413  -2.545  -0.731  0.00  0.00    -0.270 OA
BRANCH  14  25
ATOM     18  C   LIG    1       -3.179   2.491   2.560  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -3.505   1.504   1.480  0.00  0.00    -0.014 A 
ATOM     20  C   LIG    1       -4.759   1.530   0.860  0.00  0.00    +0.129 A 
ATOM     21  F   LIG    1       -5.646   2.472   1.219  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -5.116   0.595  -0.116  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1       -6.460   0.665  -0.774  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1       -4.179  -0.376  -0.492  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1       -2.914  -0.419   0.112  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -2.588   0.510   1.112  0.00  0.00    +0.019 A 
ENDBRANCH  14  25
ENDBRANCH   1  15
BRANCH   5  27
ATOM     27  N   LIG    1        1.589  -5.339  -1.690  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1        2.648  -5.851  -2.082  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        0.504  -5.933  -1.633  0.00  0.00    -0.126 OA
ENDBRANCH   5  27
TORSDOF 4