REMARK  Name = BDB049814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.083   0.351  -0.050  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.937  -0.464  -0.098  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.086  -1.837   0.086  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -0.816  -2.337  -0.029  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -0.535  -3.307   0.026  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1        0.056  -1.295  -0.241  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1       -3.317  -2.456   0.320  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.444  -1.629   0.367  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.606  -0.154  -0.277  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -4.336  -0.249   0.185  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.487  -1.501  -0.422  0.00  0.00    +0.282 C 
ATOM     12  N   LIG    1        2.354  -0.407  -0.530  0.00  0.00    -0.285 N 
ATOM     13  C   LIG    1        1.902   0.996  -0.556  0.00  0.00    +0.203 C 
ATOM     14  C   LIG    1        2.989   2.087  -0.515  0.00  0.00    +0.230 C 
ATOM     15  O   LIG    1        2.728   3.287  -0.452  0.00  0.00    -0.274 OA
ATOM     16  N   LIG    1        4.300   1.692  -0.599  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        4.966   2.445  -0.476  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        4.696   0.326  -0.355  0.00  0.00    +0.123 C 
ATOM     19  C   LIG    1        3.719  -0.658  -0.987  0.00  0.00    +0.127 C 
ATOM     20  O   LIG    1        1.927  -2.654  -0.476  0.00  0.00    -0.267 OA
ENDBRANCH   6  11
BRANCH   1  24
ATOM     21  N   LIG    1       -3.757   2.601   0.520  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -4.148   2.256   1.385  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -3.565   3.593   0.458  0.00  0.00    +0.145 HD
ATOM     24  C   LIG    1       -2.973   1.806  -0.274  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1       -2.234   2.295  -1.116  0.00  0.00    -0.270 OA
ENDBRANCH   1  24
TORSDOF 2