REMARK  Name = BDB051893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.148   0.834  -1.028  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        0.082   0.963  -2.402  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.381   1.180  -2.880  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1        2.454   1.291  -1.997  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        2.241   1.148  -0.621  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        0.937   0.915  -0.148  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.968   0.552   0.674  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1       -1.481   0.621  -0.618  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -2.181   0.608  -1.349  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.322   0.736   1.698  0.00  0.00    -0.270 OA
BRANCH   7  19
ATOM     11  C   LIG    1       -6.331   1.670   3.511  0.00  0.00    +0.113 C 
ATOM     12  C   LIG    1       -6.645   0.806   2.326  0.00  0.00    +0.229 C 
ATOM     13  N   LIG    1       -5.536   0.442   1.525  0.00  0.00    -0.287 N 
ATOM     14  C   LIG    1       -5.565  -0.367   0.382  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -4.253  -0.493  -0.099  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -4.021  -1.329  -1.218  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -5.088  -1.973  -1.850  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -6.382  -1.809  -1.380  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.409   0.298   0.740  0.00  0.00    +0.063 A 
ATOM     20  C   LIG    1       -6.640  -1.015  -0.260  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -4.221   0.815   1.731  0.00  0.00    +0.108 A 
ATOM     22  O   LIG    1       -7.774   0.427   2.041  0.00  0.00    -0.273 OA
ENDBRANCH   7  19
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1        1.634   1.328  -4.328  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        2.293   2.232  -4.806  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        1.075   0.333  -5.049  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        0.742  -0.413  -4.515  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH   3  23
BRANCH   5  27
ATOM     27  C   LIG    1        3.398   1.263   0.343  0.00  0.00    +0.198 C 
BRANCH  27  28
ATOM     28  O   LIG    1        4.437   0.357  -0.019  0.00  0.00    -0.347 OA
BRANCH  28  29
ATOM     29  C   LIG    1        4.268  -0.936   0.563  0.00  0.00    +0.250 C 
ATOM     30  O   LIG    1        4.455  -0.888   1.977  0.00  0.00    -0.351 OA
ATOM     31  C   LIG    1        5.771  -1.183   2.441  0.00  0.00    +0.163 C 
ATOM     32  C   LIG    1        6.863  -0.774   1.466  0.00  0.00    +0.028 C 
ATOM     33  C   LIG    1        6.693  -1.492   0.130  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        5.240  -1.898  -0.119  0.00  0.00    +0.061 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7