REMARK  Name = BDB000960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.537   0.218  -0.352  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1       -1.807   0.730  -0.450  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1       -2.051   1.698  -0.608  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.701  -0.305  -0.329  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -1.900  -1.433  -0.197  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -2.499  -2.698  -0.100  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.896  -2.793  -0.158  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -4.683  -1.647  -0.291  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.099  -0.373  -0.358  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -0.571  -1.089  -0.189  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        5.301  -1.107   0.799  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        4.630   0.186   1.191  0.00  0.00    +0.212 C 
ATOM     13  N   LIG    1        3.396   0.456   0.617  0.00  0.00    -0.302 N 
ATOM     14  C   LIG    1        2.674   1.651   1.045  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1        1.166   1.442   0.990  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1        0.690   1.081  -0.428  0.00  0.00    +0.058 C 
ATOM     17  C   LIG    1        1.789   0.403  -1.263  0.00  0.00    +0.030 C 
ATOM     18  C   LIG    1        2.756  -0.392  -0.393  0.00  0.00    +0.108 C 
ATOM     19  O   LIG    1        5.179   0.955   1.981  0.00  0.00    -0.276 OA
ENDBRANCH   1  16
BRANCH   9  20
ATOM     20  C   LIG    1       -4.952   0.825  -0.473  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -6.017   0.808  -1.071  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1       -4.514   1.950   0.176  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -5.215   2.682   0.230  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -3.948   1.833   1.008  0.00  0.00    +0.145 HD
ENDBRANCH   9  20
TORSDOF 2