REMARK  Name = BDB031529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.393   1.666   1.594  0.00  0.00    +0.204 C 
ATOM      2  C   LIG    1        1.092   1.298   0.815  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        0.868  -0.182   0.556  0.00  0.00    +0.028 C 
ATOM      4  N   LIG    1        0.313   1.786   1.990  0.00  0.00    -0.288 NA
ATOM      5  C   LIG    1        1.467   2.639   2.367  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  O   LIG    1        3.457   2.304   0.848  0.00  0.00    -0.484 OA
BRANCH   6  10
ATOM      7  C   LIG    1        5.646   0.106  -1.837  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.223  -0.540  -0.711  0.00  0.00    -0.247 NA
ATOM      9  C   LIG    1        4.504   0.199   0.168  0.00  0.00    +0.157 A 
ATOM     10  C   LIG    1        4.172   1.534  -0.027  0.00  0.00    +0.139 A 
ATOM     11  C   LIG    1        4.636   2.165  -1.178  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        5.383   1.443  -2.106  0.00  0.00    +0.036 A 
BRANCH   7  16
ATOM     13  C   LIG    1        7.451  -2.932  -3.178  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        6.611  -2.027  -2.443  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        6.263  -2.279  -1.521  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        6.445  -0.708  -2.811  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        6.907  -0.214  -3.832  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   4  18
ATOM     18  C   LIG    1       -0.817   2.629   1.574  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.005   1.814   1.132  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -2.606   0.877   1.983  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -3.699   0.154   1.526  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -4.169   0.389   0.238  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -5.316  -0.370  -0.241  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -5.932  -1.305   0.512  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1       -5.416  -1.526   1.921  0.00  0.00    +0.253 A 
ATOM     26  O   LIG    1       -5.949  -2.330   2.681  0.00  0.00    -0.268 OA
ATOM     27  N   LIG    1       -3.622   1.288  -0.607  0.00  0.00    -0.253 NA
ATOM     28  N   LIG    1       -4.332  -0.794   2.332  0.00  0.00    -0.321 N 
ATOM     29  H   LIG    1       -4.010  -0.971   3.274  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1       -2.554   1.977  -0.140  0.00  0.00    +0.116 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -7.105  -2.073   0.039  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -6.982  -3.569  -0.124  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -7.111  -2.697  -1.336  0.00  0.00    +0.009 C 
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6