REMARK  Name = BDB004136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.099   1.219  -1.819  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -0.079   0.373  -0.524  0.00  0.00    +0.139 C 
ATOM      3  C   LIG    1        0.798  -0.839  -0.777  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        2.017  -0.680  -0.106  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        3.020  -1.627  -0.202  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        2.780  -2.759  -0.987  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.556  -2.925  -1.657  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1        2.009   0.517   0.622  0.00  0.00    -0.258 N 
ATOM      9  C   LIG    1        0.552  -1.960  -1.558  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        0.799   1.203   0.476  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1        0.488   2.262   1.005  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  12
ATOM     12  N   LIG    1       -1.428   0.055   0.045  0.00  0.00    -0.267 N 
ATOM     13  C   LIG    1       -1.437  -0.619   1.259  0.00  0.00    +0.310 C 
ATOM     14  O   LIG    1       -0.426  -0.896   1.902  0.00  0.00    -0.252 OA
ATOM     15  N   LIG    1       -2.627  -0.991   1.801  0.00  0.00    -0.240 N 
ATOM     16  H   LIG    1       -2.397  -1.500   2.648  0.00  0.00    +0.159 HD
ATOM     17  C   LIG    1       -3.540  -0.036   2.157  0.00  0.00    +0.220 C 
ATOM     18  O   LIG    1       -3.903   0.090   3.324  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.064   0.841   1.052  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.989   0.104  -0.272  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -2.582   0.140  -0.862  0.00  0.00    +0.111 C 
ENDBRANCH   2  12
BRANCH   8  22
ATOM     22  C   LIG    1        3.095   1.005   1.441  0.00  0.00    +0.234 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.101   1.851   0.678  0.00  0.00    +0.323 C 
ATOM     24  O   LIG    1        5.128   2.316   1.151  0.00  0.00    -0.249 OA
BRANCH  23  25
ATOM     25  O   LIG    1        3.796   2.094  -0.614  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1        4.525   2.670  -0.924  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 4