REMARK  Name = BDB028103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.280  -2.810   0.515  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        1.072  -2.016  -0.331  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.838  -1.022   0.250  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        2.699  -0.026  -0.400  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        3.218   0.767   0.607  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        2.721   0.392   1.924  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        2.873   0.070  -1.598  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.861  -0.789   1.623  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        1.122  -1.588   2.476  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.338  -2.604   1.914  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        4.099   1.909   0.416  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        3.422   2.957  -0.473  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        2.369   3.508  -0.155  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        4.014   3.223  -1.684  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.551   3.904  -2.263  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        5.028   2.533  -2.299  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.383   2.830  -3.438  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        5.654   1.392  -1.534  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        5.514   1.557  -0.032  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.628  -3.858  -0.085  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1       -2.690  -1.820   0.005  0.00  0.00    -0.266 N 
ATOM     22  H   LIG    1       -1.714  -1.558  -0.052  0.00  0.00    +0.156 HD
ATOM     23  C   LIG    1       -2.980  -3.069   0.465  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1       -1.928  -3.938   0.552  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1       -2.246  -4.859   0.833  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1       -4.079  -3.486   0.817  0.00  0.00    -0.252 OA
BRANCH  21  28
ATOM     27  C   LIG    1       -2.962   0.527  -0.447  0.00  0.00    +0.141 A 
ATOM     28  C   LIG    1       -3.562  -0.723  -0.179  0.00  0.00    +0.077 A 
ATOM     29  C   LIG    1       -4.957  -0.822  -0.104  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -5.765   0.308  -0.295  0.00  0.00    -0.048 A 
ATOM     31  C   LIG    1       -7.260   0.201  -0.171  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -5.162   1.545  -0.543  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -3.768   1.655  -0.627  0.00  0.00    +0.048 A 
BRANCH  27  35
ATOM     34  C   LIG    1       -0.934   1.785  -0.641  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -1.583   0.523  -0.503  0.00  0.00    -0.493 OA
ENDBRANCH  27  35
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5