REMARK  Name = BDB057976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.987   0.560   0.427  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1       -2.815   0.104  -0.890  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -1.524  -0.189  -1.368  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -0.374  -0.046  -0.562  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        1.020  -0.380  -1.139  0.00  0.00    +0.031 C 
ATOM      6  C   LIG    1        2.087  -0.156  -0.096  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        1.898   0.284   1.199  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        0.582   0.593   1.718  0.00  0.00    +0.196 C 
ATOM      9  O   LIG    1        0.392   0.984   2.864  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1        3.176   0.350   1.825  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.117  -0.057   0.877  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        5.491  -0.114   1.152  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        5.916   0.256   2.437  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1        4.995   0.667   3.403  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        3.626   0.718   3.109  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        3.432  -0.358  -0.279  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1        3.869  -0.680  -1.132  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1        1.309   0.532  -2.352  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        1.057  -1.860  -1.579  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -0.559   0.406   0.764  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -1.850   0.699   1.241  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   2  22
ATOM     22  C   LIG    1       -3.927  -0.070  -1.796  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -4.429  -1.286  -2.191  0.00  0.00    +0.238 A 
ATOM     24  O   LIG    1       -5.456  -1.092  -3.058  0.00  0.00    -0.362 OA
ATOM     25  N   LIG    1       -5.641   0.269  -3.255  0.00  0.00    -0.086 NA
ATOM     26  C   LIG    1       -4.717   0.863  -2.495  0.00  0.00    +0.165 A 
ENDBRANCH   2  22
BRANCH   1  28
ATOM     27  C   LIG    1       -4.983  -0.374   1.643  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -4.340   0.864   1.034  0.00  0.00    +0.032 C 
ENDBRANCH   1  28
BRANCH  13  29
ATOM     29  C   LIG    1        7.313   0.211   2.758  0.00  0.00    +0.099 C 
ATOM     30  N   LIG    1        8.446   0.171   3.009  0.00  0.00    -0.191 NA
ENDBRANCH  13  29
TORSDOF 3