REMARK  Name = BDB003195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.354  -0.970  -2.373  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        1.191  -0.185  -1.446  0.00  0.00    +0.231 C 
ATOM      3  N   LIG    1        2.011   0.081  -0.364  0.00  0.00    -0.210 N 
ATOM      4  C   LIG    1        1.484   1.072   0.445  0.00  0.00    +0.231 C 
ATOM      5  O   LIG    1        1.928   1.550   1.482  0.00  0.00    -0.274 OA
ATOM      6  C   LIG    1        0.176   1.546  -0.122  0.00  0.00    +0.100 C 
ATOM      7  C   LIG    1       -1.004   1.341   0.864  0.00  0.00    +0.062 C 
ATOM      8  C   LIG    1       -2.244   1.735   0.056  0.00  0.00    -0.035 A 
ATOM      9  C   LIG    1       -2.426   0.953  -1.120  0.00  0.00    -0.035 A 
ATOM     10  C   LIG    1       -1.343  -0.110  -1.319  0.00  0.00    +0.062 C 
ATOM     11  C   LIG    1       -1.287  -0.940  -0.036  0.00  0.00    -0.035 A 
ATOM     12  C   LIG    1       -1.371  -2.322   0.039  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -1.272  -2.929   1.292  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -1.091  -2.158   2.452  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.006  -0.767   2.380  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.503   1.184  -1.963  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.400   2.201  -1.632  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.221   2.972  -0.472  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.140   2.742   0.381  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -1.105  -0.161   1.136  0.00  0.00    -0.035 A 
ATOM     21  C   LIG    1       -0.021   0.699  -1.393  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   3  22
ATOM     22  C   LIG    1        3.248  -0.604  -0.100  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        4.139  -0.167   0.888  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1        5.323  -0.860   1.107  0.00  0.00    +0.112 A 
ATOM     25  N   LIG    1        5.689  -1.956   0.419  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        4.831  -2.376  -0.528  0.00  0.00    +0.112 A 
ATOM     27  C   LIG    1        3.627  -1.747  -0.816  0.00  0.00    +0.043 A 
ENDBRANCH   3  22
TORSDOF 1