REMARK  Name = BDB058279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.694   0.209  -2.982  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.250   0.129  -2.190  0.00  0.00    +0.223 C 
ATOM      3  N   LIG    1        1.510   0.119  -2.709  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.547   0.181  -3.718  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.753   0.038  -2.136  0.00  0.00    +0.147 A 
ATOM      6  N   LIG    1        3.804   0.056  -2.963  0.00  0.00    -0.158 NA
ATOM      7  N   LIG    1        4.873  -0.033  -2.160  0.00  0.00    -0.280 N 
ATOM      8  H   LIG    1        5.796  -0.037  -2.583  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1        4.544  -0.109  -0.843  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        3.171  -0.065  -0.790  0.00  0.00    +0.068 A 
BRANCH   9  11
ATOM     11  C   LIG    1        5.510  -0.222   0.361  0.00  0.00    +0.037 C 
ATOM     12  C   LIG    1        6.597  -1.320   0.247  0.00  0.00    +0.010 C 
ATOM     13  C   LIG    1        7.561  -0.331   0.934  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1        6.670   0.805   0.387  0.00  0.00    +0.010 C 
ENDBRANCH   9  11
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1        0.049   0.044  -0.688  0.00  0.00    +0.131 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.396   0.073  -0.243  0.00  0.00    -0.039 A 
ATOM     17  C   LIG    1       -2.138  -1.111  -0.159  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -3.476  -1.082   0.249  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -4.108   0.127   0.578  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1       -3.358   1.309   0.481  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -2.020   1.285   0.072  0.00  0.00    +0.005 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -5.517   0.155   1.004  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -6.524  -0.420   0.211  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -7.862  -0.394   0.614  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -8.216   0.208   1.818  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.233   0.785   2.619  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.896   0.759   2.214  0.00  0.00    +0.008 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 5