REMARK  Name = BDB046681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.976   0.171   0.215  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1       -0.144  -0.005   1.304  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.564  -0.097   2.221  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.599   0.029  -0.945  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -3.445   0.026  -0.283  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.393   0.526   0.521  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1       -2.654   1.405   1.589  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.964   1.757   1.904  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.013   1.230   1.160  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.756   0.369   0.088  0.00  0.00    +0.023 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -4.113  -0.974  -2.434  0.00  0.00    +0.125 C 
ATOM     12  N   LIG    1       -3.190  -0.902  -1.314  0.00  0.00    -0.346 N 
ATOM     13  H   LIG    1       -2.218  -0.794  -1.635  0.00  0.00    +0.146 HD
ENDBRANCH   5  12
ENDBRANCH   1   6
BRANCH   2  14
ATOM     14  C   LIG    1        1.217  -0.480   1.133  0.00  0.00    +0.126 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.153   0.584   0.547  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  N   LIG    1        3.512   0.074   0.350  0.00  0.00    -0.299 N 
ATOM     17  C   LIG    1        4.369   0.024   1.443  0.00  0.00    +0.329 A 
ATOM     18  O   LIG    1        4.058   0.380   2.578  0.00  0.00    -0.246 OA
ATOM     19  N   LIG    1        5.621  -0.472   1.188  0.00  0.00    -0.275 N 
ATOM     20  H   LIG    1        6.258  -0.516   1.967  0.00  0.00    +0.173 HD
ATOM     21  C   LIG    1        6.064  -0.953  -0.009  0.00  0.00    +0.254 A 
ATOM     22  O   LIG    1        7.188  -1.413  -0.170  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1        5.100  -0.898  -1.119  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1        3.884  -0.396  -0.892  0.00  0.00    +0.096 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 5