REMARK  Name = BDB012192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.451  -0.595   3.605  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.339  -0.248   2.429  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.735  -0.641   1.632  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.659  -1.626   2.176  0.00  0.00    +0.114 C 
ATOM      5  C   LIG    1        3.098  -1.400   1.704  0.00  0.00    +0.072 C 
ATOM      6  C   LIG    1        3.215  -0.967   0.254  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        2.089  -0.635  -0.407  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        0.714  -0.537   0.181  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1        4.484  -0.939  -0.332  0.00  0.00    -0.265 N 
ATOM     10  C   LIG    1        4.945  -0.211  -1.472  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1        6.281  -0.543  -1.698  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        7.040  -0.014  -2.720  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        6.421   0.921  -3.549  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        5.089   1.306  -3.318  0.00  0.00    +0.002 A 
ATOM     15  N   LIG    1        6.688  -1.427  -0.719  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        7.605  -1.824  -0.596  0.00  0.00    +0.170 HD
ATOM     17  C   LIG    1        4.345   0.750  -2.267  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        5.627  -1.674   0.161  0.00  0.00    +0.332 A 
ATOM     19  O   LIG    1        5.734  -2.409   1.131  0.00  0.00    -0.246 OA
ENDBRANCH   6   9
BRANCH   2  20
ATOM     20  C   LIG    1       -1.376   0.657   1.777  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.497   1.047   2.747  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.501   2.012   2.119  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.299   1.351   1.020  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1       -5.293   0.503   1.426  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -5.480   0.350   2.407  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -6.096  -0.186   0.554  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1       -6.983  -0.938   0.939  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -5.820   0.038  -0.875  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1       -4.782   0.917  -1.199  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -4.501   1.149  -2.547  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -5.242   0.512  -3.547  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -6.274  -0.364  -3.207  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -6.568  -0.605  -1.866  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1       -4.014   1.574  -0.222  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 5