REMARK  Name = BDB000940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.623  -0.837  -0.078  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.375   0.099  -0.194  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.236   1.100  -0.275  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.583  -0.550  -0.193  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.247  -1.890  -0.065  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.266  -2.852  -0.018  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.599  -2.426  -0.094  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.912  -1.068  -0.225  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        2.903  -0.091  -0.291  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -0.116  -2.053  -0.001  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -2.580   0.608  -2.174  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -2.334   0.815  -0.751  0.00  0.00    -0.296 NA
ATOM     13  C   LIG    1       -2.069  -0.453  -0.036  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1       -2.537  -0.192   1.404  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1       -3.143   1.204   1.380  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -3.484   1.421  -0.080  0.00  0.00    +0.085 C 
ENDBRANCH   1  13
BRANCH   9  17
ATOM     17  C   LIG    1        3.165   1.363  -0.435  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        2.285   2.193  -0.237  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1        4.412   1.751  -0.838  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        5.067   1.116  -1.268  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        4.522   2.736  -1.044  0.00  0.00    +0.145 HD
ENDBRANCH   9  17
TORSDOF 2