REMARK  Name = BDB049694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.221   0.424   4.103  0.00  0.00    +0.225 A 
ATOM      2  N   LIG    1       -2.470   0.832   4.360  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1       -3.218   0.830   3.248  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -2.829   0.478   1.962  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -4.001   0.628   1.124  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -5.026   1.058   1.955  0.00  0.00    +0.089 A 
ATOM      7  C   LIG    1       -1.481   0.073   1.811  0.00  0.00    +0.132 A 
ATOM      8  N   LIG    1       -4.535   1.183   3.225  0.00  0.00    -0.345 N 
ATOM      9  H   LIG    1       -5.050   1.474   4.043  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -0.699   0.054   2.921  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.112   0.347  -0.356  0.00  0.00    +0.026 C 
ATOM     12  C   LIG    1       -4.211  -1.163  -0.637  0.00  0.00    +0.036 C 
ATOM     13  C   LIG    1       -4.904  -1.457  -1.963  0.00  0.00    +0.160 C 
ATOM     14  O   LIG    1       -4.624  -0.423  -2.900  0.00  0.00    -0.380 OA
ATOM     15  C   LIG    1       -5.249   0.814  -2.552  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -5.271   1.075  -1.046  0.00  0.00    +0.036 C 
ENDBRANCH   5  11
BRANCH   7  17
ATOM     17  N   LIG    1       -0.938  -0.319   0.590  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -1.429   0.070  -0.202  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.515  -0.345   0.455  0.00  0.00    +0.072 C 
ATOM     20  C   LIG    1        1.077   1.081   0.331  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        2.408   1.155  -0.429  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1        3.213  -0.155  -0.309  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1        2.389  -1.279  -0.991  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1        0.874  -1.162  -0.788  0.00  0.00    +0.024 C 
BRANCH  22  25
ATOM     25  N   LIG    1        4.570  -0.013  -0.880  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.445   0.897  -0.098  0.00  0.00    +0.113 C 
ATOM     27  C   LIG    1        6.558   0.180   0.688  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1        7.430  -0.594  -0.143  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        6.773  -1.115  -1.305  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1        5.261  -1.304  -1.103  0.00  0.00    +0.113 C 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   7  17
TORSDOF 4