REMARK  Name = BDB030237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.555  -0.065   0.893  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -3.048  -1.273   0.505  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1       -1.718  -1.049   0.187  0.00  0.00    +0.143 A 
ATOM      4  N   LIG    1       -1.428   0.293   0.386  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -2.542   0.847   0.806  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -0.782  -2.086  -0.285  0.00  0.00    +0.266 C 
ATOM      7  N   LIG    1        0.523  -1.727  -0.587  0.00  0.00    -0.296 N 
ATOM      8  C   LIG    1        1.097  -0.389  -0.525  0.00  0.00    +0.112 C 
ATOM      9  C   LIG    1        2.524  -0.573  -0.940  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1        3.476  -1.423  -0.123  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        2.726  -2.001  -1.305  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1        1.434  -2.726  -1.122  0.00  0.00    +0.112 C 
ATOM     13  O   LIG    1       -1.157  -3.254  -0.409  0.00  0.00    -0.268 OA
BRANCH  10  14
ATOM     14  C   LIG    1        4.921  -1.185  -0.215  0.00  0.00    +0.065 C 
ATOM     15  C   LIG    1        5.542   0.040   0.329  0.00  0.00    +0.104 C 
ATOM     16  C   LIG    1        6.890  -0.089  -0.358  0.00  0.00    +0.138 C 
ATOM     17  C   LIG    1        6.950   0.689  -1.675  0.00  0.00    +0.058 C 
ATOM     18  C   LIG    1        8.037   0.320   0.560  0.00  0.00    +0.058 C 
ATOM     19  O   LIG    1        7.022  -1.494  -0.651  0.00  0.00    -0.387 OA
ATOM     20  N   LIG    1        5.721  -2.052  -0.735  0.00  0.00    -0.093 NA
ENDBRANCH  10  14
ENDBRANCH   3   6
BRANCH   1  22
ATOM     21  C   LIG    1       -4.945   0.528   2.848  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1       -4.923   0.182   1.352  0.00  0.00    +0.116 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.622   1.188   0.436  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1       -6.231   0.776  -0.773  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1       -6.846   1.717  -1.615  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -6.862   3.067  -1.275  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.263   3.488  -0.094  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.648   2.562   0.752  0.00  0.00    +0.007 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -6.261  -0.602  -1.179  0.00  0.00    +0.099 C 
ATOM     30  N   LIG    1       -6.303  -1.722  -1.481  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5