REMARK  Name = BDB000968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.930   0.066  -0.264  0.00  0.00    +0.117 A 
ATOM      2  N   LIG    1       -0.180   0.512   0.400  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1       -0.212   1.074   1.243  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -1.289   0.077  -0.284  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -0.772  -0.614  -1.371  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -1.653  -1.187  -2.298  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.031  -1.035  -2.101  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.527  -0.333  -0.996  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.661   0.235  -0.047  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.601  -0.611  -1.345  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        2.957   1.609  -0.519  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1        2.411   0.357   0.162  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1        2.674   0.266   1.687  0.00  0.00    +0.096 C 
ATOM     14  N   LIG    1        3.892  -0.528   1.415  0.00  0.00    -0.314 NA
ATOM     15  H   LIG    1        4.740   0.036   1.346  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.329  -0.891   0.090  0.00  0.00    +0.096 C 
ENDBRANCH   1  12
BRANCH   9  17
ATOM     17  C   LIG    1       -3.106   0.988   1.152  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -2.309   1.630   1.829  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -4.424   0.917   1.506  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -5.056   0.221   1.138  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -4.674   1.349   2.386  0.00  0.00    +0.145 HD
ENDBRANCH   9  17
TORSDOF 2