REMARK  Name = BDB012477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.915  -3.385  -0.706  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        3.727  -3.327  -1.441  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1        2.865  -2.228  -1.263  0.00  0.00    +0.094 A 
ATOM      4  N   LIG    1        1.661  -1.973  -1.857  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        1.275  -0.794  -1.412  0.00  0.00    +0.204 A 
ATOM      6  N   LIG    1        0.078  -0.260  -1.829  0.00  0.00    -0.252 N 
ATOM      7  H   LIG    1       -0.477  -0.904  -2.384  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -0.110   1.076  -2.115  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.758   1.938  -2.162  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.532   1.459  -2.364  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -2.549   0.877  -1.594  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -3.828   1.458  -1.529  0.00  0.00    -0.025 A 
ATOM     13  C   LIG    1       -4.121   2.530  -2.381  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -3.137   3.052  -3.228  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.809   1.016  -0.448  0.00  0.00    +0.182 C 
ATOM     16  N   LIG    1       -4.331   1.367   0.904  0.00  0.00    -0.225 N 
ATOM     17  N   LIG    1       -3.073   0.926   1.222  0.00  0.00    -0.168 NA
ATOM     18  C   LIG    1       -2.542   1.269   2.349  0.00  0.00    +0.092 A 
ATOM     19  C   LIG    1       -3.211   2.095   3.365  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -4.447   2.506   3.053  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1       -1.131   0.876   2.576  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -0.238   1.067   1.510  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        1.085   0.619   1.581  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1        1.500  -0.018   2.758  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        0.613  -0.200   3.830  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        2.030   0.844   0.420  0.00  0.00    +0.160 C 
ATOM     27  C   LIG    1       -0.709   0.247   3.745  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -5.090   2.151   1.759  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -6.224   2.564   1.520  0.00  0.00    -0.266 OA
ATOM     30  C   LIG    1       -1.835   2.543  -3.196  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1        2.158  -0.311  -0.460  0.00  0.00    -0.307 N 
ATOM     32  C   LIG    1        3.205  -1.219  -0.370  0.00  0.00    +0.071 A 
ATOM     33  C   LIG    1        4.385  -1.260   0.385  0.00  0.00    +0.031 A 
ATOM     34  C   LIG    1        5.232  -2.358   0.189  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  36
ATOM     35  C   LIG    1        5.509  -5.525  -1.554  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1        5.853  -4.383  -0.778  0.00  0.00    -0.495 OA
ENDBRANCH   1  36
TORSDOF 1