REMARK  Name = BDB031343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.842   2.542   0.132  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.141   1.577   0.413  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.986   1.655   1.155  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1        0.411   0.827   1.269  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.526   0.216  -0.048  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        3.894  -0.085  -0.123  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        4.221  -1.344  -0.565  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1        3.258  -2.283  -0.935  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        3.919  -3.438  -1.333  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        3.507  -4.294  -1.662  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        5.302  -3.231  -1.214  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1        6.183  -4.029  -1.477  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1        1.912  -2.011  -0.890  0.00  0.00    +0.028 A 
ATOM     14  N   LIG    1        5.473  -1.925  -0.735  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        6.371  -1.506  -0.559  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        1.545  -0.735  -0.441  0.00  0.00    +0.015 A 
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        0.290   2.917   1.388  0.00  0.00    +0.076 C 
ATOM     18  C   LIG    1       -0.544   3.293   0.162  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -1.633   2.244  -0.121  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1       -1.999   1.444   1.070  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1       -2.036   2.296   2.262  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -0.630   2.803   2.613  0.00  0.00    +0.037 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.272   0.733   0.876  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.169  -0.383  -0.144  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1       -3.712  -0.235  -1.428  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.622  -1.272  -2.358  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.985  -2.466  -2.016  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.430  -2.619  -0.748  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.516  -1.581   0.183  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  17
TORSDOF 4