REMARK  Name = BDB050168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.415   0.218   0.150  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -1.187   0.534   0.896  0.00  0.00    +0.111 C 
ATOM      3  C   LIG    1       -0.139   1.160  -0.045  0.00  0.00    +0.011 C 
ATOM      4  C   LIG    1       -0.768   2.216  -0.979  0.00  0.00    +0.007 C 
ATOM      5  C   LIG    1       -2.171   2.607  -0.534  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -3.076   1.376  -0.473  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.787  -1.720   1.424  0.00  0.00    -0.273 NA
ATOM      8  H   LIG    1       -3.472  -2.470   1.493  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -3.116  -0.913   0.476  0.00  0.00    +0.173 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -4.198  -1.165  -0.295  0.00  0.00    -0.331 N 
ATOM     11  H   LIG    1       -4.033  -0.942  -1.268  0.00  0.00    +0.145 HD
ATOM     12  H   LIG    1       -4.566  -2.102  -0.208  0.00  0.00    +0.145 HD
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  13
ATOM     13  C   LIG    1        0.607   0.100  -0.884  0.00  0.00    +0.044 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.564  -0.742  -0.083  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1        2.848  -0.315   0.280  0.00  0.00    +0.138 A 
ATOM     16  C   LIG    1        3.751  -1.067   1.023  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        4.912  -0.260   1.158  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        4.646   0.917   0.498  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1        3.369  -2.349   1.452  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        2.092  -2.815   1.116  0.00  0.00    +0.001 A 
ATOM     21  O   LIG    1        3.398   0.894  -0.036  0.00  0.00    -0.463 OA
ATOM     22  C   LIG    1        1.212  -2.029   0.365  0.00  0.00    +0.007 A 
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 4