REMARK  Name = BDB047611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.830  -1.425  -0.298  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.423  -0.916  -0.213  0.00  0.00    -0.035 A 
ATOM      3  C   LIG    1       -2.140   0.436  -0.103  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -3.041   1.593  -0.049  0.00  0.00    +0.260 A 
ATOM      5  N   LIG    1       -2.251   2.693   0.059  0.00  0.00    -0.289 N 
ATOM      6  H   LIG    1       -2.606   3.634   0.116  0.00  0.00    +0.172 HD
ATOM      7  C   LIG    1       -0.926   2.385   0.082  0.00  0.00    +0.260 A 
ATOM      8  O   LIG    1       -0.009   3.174   0.172  0.00  0.00    -0.267 OA
ATOM      9  O   LIG    1       -4.255   1.562  -0.093  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -0.839   0.930  -0.022  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        0.269   0.079  -0.047  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.020  -1.288  -0.158  0.00  0.00    +0.049 A 
ATOM     13  N   LIG    1        1.183  -1.954  -0.165  0.00  0.00    -0.354 N 
ATOM     14  H   LIG    1        1.285  -2.956  -0.236  0.00  0.00    +0.166 HD
ATOM     15  C   LIG    1        2.234  -1.075  -0.065  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        3.611  -1.329  -0.036  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        4.472  -0.235   0.074  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        3.971   1.060   0.152  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.591   1.295   0.122  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        1.695   0.211   0.012  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -1.333  -1.804  -0.241  0.00  0.00    +0.030 A 
ENDROOT
TORSDOF 0