REMARK  Name = BDB000864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.344  -2.207   0.888  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -0.950  -2.840   0.696  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1       -0.530  -3.768   1.384  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.265  -2.393  -0.429  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1       -0.195  -3.307  -1.562  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.891  -2.684  -2.435  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1        1.925  -2.267  -1.396  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1       -1.516  -3.536  -2.304  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1       -2.451  -2.326  -2.332  0.00  0.00    +0.002 C 
ATOM     10  C   LIG    1       -3.650  -2.435  -1.384  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1        1.074  -1.835  -0.196  0.00  0.00    +0.162 C 
ATOM     12  C   LIG    1       -3.409  -2.928   0.052  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.261   0.084   1.173  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -2.320  -0.772   0.652  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -1.593  -0.394   0.042  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -4.170  -0.293   1.911  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -3.045   1.569   0.797  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -2.126   2.188   1.851  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -4.309   3.645   0.446  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -4.367   2.214   0.677  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -4.906   2.003   1.521  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH  11  22
ATOM     22  C   LIG    1        1.013  -0.300  -0.082  0.00  0.00    +0.234 C 
ATOM     23  N   LIG    1        2.192   0.285   0.319  0.00  0.00    -0.307 N 
ATOM     24  H   LIG    1        3.006  -0.284   0.517  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1        0.002   0.354  -0.337  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1        2.316   1.719   0.467  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1        3.591   2.064   1.179  0.00  0.00    -0.024 A 
ATOM     28  C   LIG    1        4.574   2.483   0.273  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        5.848   2.810   0.702  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.129   2.727   2.067  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.144   2.310   2.977  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.050   2.460  -1.129  0.00  0.00    +0.037 C 
ATOM     33  C   LIG    1        3.864   1.970   2.535  0.00  0.00    +0.006 A 
ATOM     34  C   LIG    1        2.533   2.433  -0.884  0.00  0.00    +0.032 C 
ENDBRANCH  23  26
ENDBRANCH  11  22
TORSDOF 5