REMARK  Name = BDB024002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.399   0.901  -0.390  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -0.431   2.175   0.169  0.00  0.00    +0.134 A 
ATOM      3  F   LIG    1       -1.464   2.992  -0.066  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.599   2.641   0.983  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.700   1.830   1.244  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.777   0.550   0.684  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.731   0.102  -0.139  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  13
ATOM      8  O   LIG    1       -5.622  -1.977   0.276  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -5.436  -0.771   0.158  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1       -4.190  -0.167   0.327  0.00  0.00    -0.300 N 
ATOM     11  C   LIG    1       -3.038  -1.029   0.580  0.00  0.00    +0.115 C 
ATOM     12  C   LIG    1       -2.284  -1.287  -0.712  0.00  0.00    +0.093 C 
ATOM     13  P   LIG    1       -1.682   0.271  -1.426  0.00  0.00    +0.122 P 
ATOM     14  O   LIG    1       -1.254   0.018  -2.852  0.00  0.00    -0.316 OA
ATOM     15  C   LIG    1       -3.199   1.250  -1.410  0.00  0.00    +0.093 C 
ATOM     16  C   LIG    1       -3.892   1.213  -0.058  0.00  0.00    +0.115 C 
BRANCH   9  17
ATOM     17  C   LIG    1       -6.584   0.108  -0.198  0.00  0.00    +0.075 C 
ATOM     18  C   LIG    1       -7.221   0.995   0.850  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -7.963  -0.203   0.343  0.00  0.00    +0.013 C 
ENDBRANCH   9  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1        2.990  -0.322   0.926  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.178  -0.062   0.005  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1        5.380  -0.925   0.148  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        6.454  -0.676  -0.704  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        7.620  -1.449  -0.629  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        7.710  -2.477   0.308  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.640  -2.730   1.166  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.353   0.415  -1.687  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1        7.273   0.669  -2.456  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        5.177   1.122  -1.681  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1        5.080   1.873  -2.358  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1        5.476  -1.958   1.090  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1        4.112   0.902  -0.866  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4