REMARK  Name = BDB007806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.910   0.280   0.363  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -2.652  -0.036  -0.789  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.055  -0.723  -1.863  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.705  -1.073  -1.752  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1        0.112  -1.739  -2.636  0.00  0.00    -0.339 N 
ATOM      6  H   LIG    1       -0.159  -2.093  -3.542  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1        1.367  -1.868  -2.117  0.00  0.00    +0.143 A 
ATOM      8  C   LIG    1        1.385  -1.272  -0.867  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        2.616  -1.310  -0.202  0.00  0.00    +0.085 A 
ATOM     10  N   LIG    1        3.671  -1.934  -0.782  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1        3.512  -2.483  -2.006  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1        4.720  -3.122  -2.620  0.00  0.00    +0.088 C 
ATOM     13  N   LIG    1        2.385  -2.476  -2.742  0.00  0.00    -0.215 NA
ATOM     14  C   LIG    1        0.063  -0.774  -0.626  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -0.560  -0.096   0.447  0.00  0.00    +0.057 A 
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        2.817  -0.733   1.124  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        2.897   0.668   1.352  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        3.030   1.101   2.691  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1        3.088   2.463   2.954  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        3.027   3.418   1.937  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.910   3.007   0.618  0.00  0.00    +0.001 A 
ATOM     22  N   LIG    1        3.096   0.255   3.730  0.00  0.00    -0.255 NA
ATOM     23  C   LIG    1        3.058  -1.067   3.479  0.00  0.00    +0.112 A 
ATOM     24  C   LIG    1        2.849   1.646   0.326  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.921  -1.602   2.216  0.00  0.00    +0.030 A 
ENDBRANCH   9  16
BRANCH   2  26
ATOM     26  C   LIG    1       -4.055   0.322  -0.903  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -4.571   1.193  -1.838  0.00  0.00    +0.142 A 
ATOM     28  C   LIG    1       -4.000   2.005  -2.928  0.00  0.00    +0.090 C 
ATOM     29  O   LIG    1       -5.917   1.289  -1.663  0.00  0.00    -0.359 OA
ATOM     30  N   LIG    1       -6.307   0.494  -0.602  0.00  0.00    -0.083 NA
ATOM     31  C   LIG    1       -5.186  -0.076  -0.142  0.00  0.00    +0.089 A 
ATOM     32  C   LIG    1       -5.245  -0.994   1.018  0.00  0.00    +0.070 C 
ENDBRANCH   2  26
BRANCH   1  34
ATOM     33  C   LIG    1       -1.810   1.436   2.457  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -2.575   0.952   1.359  0.00  0.00    -0.494 OA
ENDBRANCH   1  34
TORSDOF 3