REMARK  Name = BDB012454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.741  -4.469  -1.482  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.194  -3.244  -0.761  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -1.246  -2.310  -0.109  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        0.216  -2.523  -0.233  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1        0.940  -1.449  -0.767  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.335  -1.394  -0.681  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        3.062  -0.124  -1.071  0.00  0.00    +0.160 C 
ATOM      8  N   LIG    1        2.613   1.009  -0.262  0.00  0.00    -0.307 N 
ATOM      9  C   LIG    1        3.014   1.260   1.034  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        2.159   2.271   1.462  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1        2.270   2.763   2.770  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.246   2.221   3.615  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        4.090   1.204   3.166  0.00  0.00    +0.002 A 
ATOM     14  N   LIG    1        1.290   2.636   0.468  0.00  0.00    -0.214 NA
ATOM     15  C   LIG    1        3.992   0.698   1.865  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        1.603   1.903  -0.574  0.00  0.00    +0.204 A 
ATOM     17  N   LIG    1        1.030   1.976  -1.825  0.00  0.00    -0.252 N 
ATOM     18  H   LIG    1        1.657   1.857  -2.608  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -0.046   2.786  -2.115  0.00  0.00    +0.250 C 
ATOM     20  C   LIG    1       -1.290   2.776  -1.278  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -1.602   1.730  -0.400  0.00  0.00    +0.018 A 
ATOM     22  C   LIG    1       -2.868   1.615   0.205  0.00  0.00    -0.025 A 
ATOM     23  C   LIG    1       -3.193   0.454   1.132  0.00  0.00    +0.182 C 
ATOM     24  N   LIG    1       -2.910  -0.864   0.550  0.00  0.00    -0.225 N 
ATOM     25  C   LIG    1       -3.914  -1.607  -0.044  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -5.104  -1.307  -0.066  0.00  0.00    -0.266 OA
ATOM     27  C   LIG    1       -3.814   2.618  -0.043  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.508   3.686  -0.890  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -2.260   3.758  -1.515  0.00  0.00    +0.013 A 
ATOM     30  O   LIG    1       -0.048   3.393  -3.189  0.00  0.00    -0.270 OA
ATOM     31  C   LIG    1        3.004  -2.506  -0.157  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        2.284  -3.611   0.325  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        0.885  -3.611   0.317  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1       -1.591  -1.234   0.526  0.00  0.00    -0.168 NA
ATOM     35  C   LIG    1       -3.479  -2.865  -0.699  0.00  0.00    +0.077 A 
ENDROOT
TORSDOF 0