REMARK  Name = BDB000975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.226  -0.806  -0.347  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.636   0.231  -0.079  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.386   1.161   0.233  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.922  -0.198  -0.292  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.779  -1.520  -0.681  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.923  -2.275  -0.970  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.179  -1.667  -0.847  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.296  -0.329  -0.454  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.159   0.449  -0.176  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.455  -1.879  -0.715  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.422  -1.867  -0.892  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -1.734  -0.671  -0.203  0.00  0.00    +0.075 C 
ATOM     13  N   LIG    1       -2.227   0.526  -0.918  0.00  0.00    -0.305 NA
ATOM     14  H   LIG    1       -1.596   0.782  -1.675  0.00  0.00    +0.123 HD
ATOM     15  C   LIG    1       -2.568   1.648  -0.062  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -3.693   1.270   0.901  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -3.494  -0.095   1.562  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1       -2.096  -0.652   1.307  0.00  0.00    +0.030 C 
ENDBRANCH   1  12
BRANCH   9  19
ATOM     19  C   LIG    1        3.194   1.875   0.239  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        2.183   2.443   0.638  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        4.376   2.550   0.129  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        4.344   3.543   0.322  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        5.165   2.207  -0.397  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 2