REMARK  Name = BDB046822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.287   1.181  -0.113  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1        1.263   0.225   0.112  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1        0.936  -0.664   0.465  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.492   2.369  -0.326  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -3.290   0.221   0.285  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.204   1.146   0.530  0.00  0.00    -0.010 A 
ATOM      7  C   LIG    1       -2.308   2.433   1.284  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -1.056   0.624  -0.053  0.00  0.00    +0.106 A 
ATOM      9  N   LIG    1       -1.419  -0.554  -0.657  0.00  0.00    -0.354 N 
ATOM     10  H   LIG    1       -0.792  -1.121  -1.214  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -2.748  -0.830  -0.450  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -3.328  -2.086  -1.002  0.00  0.00    +0.064 C 
BRANCH   5  14
ATOM     13  C   LIG    1       -5.765  -0.526   0.236  0.00  0.00    +0.091 C 
ATOM     14  C   LIG    1       -4.684   0.396   0.739  0.00  0.00    +0.162 C 
ATOM     15  O   LIG    1       -4.989   1.289   1.532  0.00  0.00    -0.292 OA
ENDBRANCH   5  14
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1        2.663   0.392   0.057  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.451  -0.695   0.457  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        4.851  -0.613   0.423  0.00  0.00    +0.061 A 
ATOM     19  C   LIG    1        5.467   0.561  -0.016  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        4.688   1.643  -0.420  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        3.293   1.557  -0.386  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  C   LIG    1        5.713  -1.744   0.843  0.00  0.00    +0.337 C 
ATOM     23  O   LIG    1        6.929  -1.751   0.849  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        5.008  -2.820   1.235  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        5.700  -3.470   1.483  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH   2  16
TORSDOF 5