REMARK  Name = BDB000995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.136  -0.421  -0.052  0.00  0.00    +0.114 A 
ATOM      2  N   LIG    1        0.944   0.380  -0.346  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        0.942   1.172  -0.974  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.021  -0.048   0.388  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.518  -1.095   1.148  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.353  -1.742   2.071  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.675  -1.301   2.215  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.162  -0.246   1.439  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.347   0.390   0.491  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.200  -1.327   0.846  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -1.372  -0.521  -2.208  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -1.499  -0.232  -0.698  0.00  0.00    +0.028 C 
ATOM     13  C   LIG    1       -1.982   1.227  -0.470  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1       -3.497   1.303  -0.294  0.00  0.00    +0.082 C 
ATOM     15  N   LIG    1       -3.951   0.561   0.879  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1       -4.943   0.344   0.784  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -3.192  -0.664   1.147  0.00  0.00    +0.082 C 
ATOM     18  C   LIG    1       -2.528  -1.232  -0.104  0.00  0.00    +0.029 C 
ENDBRANCH   1  12
BRANCH   9  19
ATOM     19  C   LIG    1        3.892   1.483  -0.337  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        4.755   2.243   0.077  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        3.423   1.569  -1.622  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        3.958   2.204  -2.204  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        3.117   0.718  -2.077  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 2