REMARK  Name = BDB012461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.791   2.943  -1.227  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.876   1.630  -0.522  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -2.763   1.127   0.318  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -1.478   1.850   0.289  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -0.539   1.489  -0.688  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.746   2.045  -0.666  0.00  0.00    -0.045 A 
ATOM      7  C   LIG    1        1.779   1.655  -1.702  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1        2.208   0.178  -1.661  0.00  0.00    +0.130 C 
ATOM      9  N   LIG    1        2.925  -0.206  -0.458  0.00  0.00    -0.311 N 
ATOM     10  C   LIG    1        4.158   0.307  -0.098  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1        4.295  -0.051   1.239  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1        5.431   0.361   1.952  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        6.407   1.116   1.290  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        6.253   1.456  -0.054  0.00  0.00    +0.002 A 
ATOM     15  N   LIG    1        3.225  -0.793   1.661  0.00  0.00    -0.214 NA
ATOM     16  C   LIG    1        5.122   1.062  -0.779  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        2.475  -0.975   0.597  0.00  0.00    +0.203 A 
ATOM     18  N   LIG    1        1.351  -1.761   0.647  0.00  0.00    -0.252 N 
ATOM     19  H   LIG    1        1.100  -2.046   1.585  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        0.892  -2.523  -0.405  0.00  0.00    +0.250 C 
ATOM     21  C   LIG    1       -0.463  -3.120  -0.209  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -1.382  -2.523   0.661  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1       -2.731  -2.923   0.688  0.00  0.00    -0.025 A 
ATOM     24  C   LIG    1       -3.736  -2.115   1.494  0.00  0.00    +0.182 C 
ATOM     25  N   LIG    1       -3.902  -0.767   0.936  0.00  0.00    -0.225 N 
ATOM     26  C   LIG    1       -4.983  -0.486   0.116  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -5.943  -1.229  -0.071  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1       -3.126  -3.999  -0.112  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.200  -4.639  -0.942  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -0.878  -4.189  -1.007  0.00  0.00    +0.013 A 
ATOM     31  O   LIG    1        1.489  -2.724  -1.458  0.00  0.00    -0.270 OA
ATOM     32  C   LIG    1        1.062   2.967   0.342  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        0.118   3.321   1.314  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -1.155   2.754   1.297  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -2.801   0.053   1.037  0.00  0.00    -0.168 NA
ATOM     36  C   LIG    1       -4.944   0.823  -0.578  0.00  0.00    +0.077 A 
ENDROOT
TORSDOF 0