REMARK  Name = BDB000862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.699  -0.430   0.138  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.315  -0.161  -0.481  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1        0.884   0.990  -0.618  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.549  -1.263  -0.798  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1        1.054  -2.586  -1.156  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.023  -3.118  -2.113  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1       -1.309  -2.475  -1.620  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1        1.265  -3.497   0.067  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1        2.711  -3.487   0.581  0.00  0.00    +0.002 C 
ATOM     10  C   LIG    1        3.048  -2.474   1.675  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -0.855  -1.090  -1.160  0.00  0.00    +0.162 C 
ATOM     12  C   LIG    1        2.504  -1.055   1.528  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.759   0.945   0.367  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.389   0.853   0.228  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.804   1.682   0.234  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        5.471  -0.056   0.379  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.268   2.406   0.457  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.219   3.076  -0.915  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        7.714   2.050   0.375  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.572   2.526   1.144  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.730   3.505   1.380  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH  11  22
ATOM     22  C   LIG    1       -1.716  -0.651   0.041  0.00  0.00    +0.234 C 
ATOM     23  N   LIG    1       -2.922  -0.087  -0.322  0.00  0.00    -0.307 N 
ATOM     24  H   LIG    1       -3.169  -0.000  -1.298  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1       -1.396  -0.846   1.211  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -3.906   0.332   0.665  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -4.762   1.464   0.116  0.00  0.00    -0.024 A 
ATOM     28  C   LIG    1       -6.161   1.477   0.277  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -6.910   2.543  -0.247  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.280   3.609  -0.888  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.896   3.623  -1.012  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.888   0.352   0.971  0.00  0.00    +0.035 C 
ATOM     33  C   LIG    1       -5.973  -0.469   1.873  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -4.142   2.563  -0.509  0.00  0.00    +0.006 A 
ATOM     35  C   LIG    1       -4.729  -0.890   1.104  0.00  0.00    +0.027 C 
ENDBRANCH  23  26
ENDBRANCH  11  22
TORSDOF 5