REMARK  Name = BDB012460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.128  -3.753   2.996  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.081  -2.987   2.058  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -0.850  -2.977   0.910  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -1.888  -2.036   0.914  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.804  -1.976  -0.147  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -2.661  -2.886  -1.204  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.642  -3.848  -1.187  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.911  -0.938  -0.146  0.00  0.00    +0.182 C 
ATOM      9  N   LIG    1       -3.452   0.407  -0.504  0.00  0.00    -0.225 N 
ATOM     10  N   LIG    1       -2.420   0.920   0.248  0.00  0.00    -0.168 NA
ATOM     11  C   LIG    1       -1.935   2.082  -0.060  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -2.479   2.939  -1.131  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -3.505   2.443  -1.826  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1       -0.715   2.530   0.664  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        0.178   1.526   1.071  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        1.393   1.821   1.714  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1        1.675   3.163   1.996  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        0.780   4.172   1.615  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        2.353   0.717   2.123  0.00  0.00    +0.160 C 
ATOM     20  N   LIG    1        2.450  -0.329   1.110  0.00  0.00    -0.307 N 
ATOM     21  C   LIG    1        1.718  -1.501   1.070  0.00  0.00    +0.204 A 
ATOM     22  N   LIG    1        1.797  -2.053  -0.118  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1        2.667  -1.281  -0.842  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1        3.121  -1.446  -2.158  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        4.014  -0.506  -2.686  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.441   0.580  -1.919  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.995   0.763  -0.605  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        3.112  -0.196  -0.094  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1       -0.404   3.854   0.949  0.00  0.00    +0.133 A 
ATOM     30  F   LIG    1       -1.234   4.852   0.616  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.058   1.100  -1.539  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -4.995   0.689  -2.219  0.00  0.00    -0.266 OA
ATOM     33  C   LIG    1       -0.739  -3.904  -0.123  0.00  0.00    +0.013 A 
ATOM     34  N   LIG    1        1.022  -1.987   2.153  0.00  0.00    -0.252 N 
ATOM     35  H   LIG    1        1.415  -1.860   3.073  0.00  0.00    +0.158 HD
ENDROOT
TORSDOF 0