REMARK  Name = BDB046023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.267  -0.643  -2.085  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.663  -1.315  -1.140  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.836  -2.110  -0.374  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -1.169  -2.349   0.553  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.609  -1.990  -0.498  0.00  0.00    +0.200 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.139  -1.023   0.573  0.00  0.00    +0.233 C 
ATOM      7  N   LIG    1        2.480  -0.655   0.500  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        2.929   0.430   1.382  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1        4.439   0.386   1.671  0.00  0.00    +0.124 C 
ATOM     10  N   LIG    1        5.202   0.314   0.408  0.00  0.00    -0.327 N 
ATOM     11  C   LIG    1        4.819  -0.858  -0.412  0.00  0.00    +0.124 C 
ATOM     12  C   LIG    1        3.304  -0.852  -0.702  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1        0.407  -0.647   1.494  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     14  C   LIG    1        6.593   0.507   0.474  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        7.298   0.826  -0.700  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        8.681   1.034  -0.695  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        9.393   0.934   0.494  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.720   0.632   1.673  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        7.335   0.426   1.662  0.00  0.00    +0.023 A 
ENDBRANCH  10  14
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -3.102  -1.347  -0.680  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.000  -0.555  -1.627  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.377  -0.451  -1.118  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -6.208  -1.535  -1.391  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -5.843  -2.558  -1.968  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -7.494  -1.428  -0.959  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -8.089  -2.225  -1.118  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -7.991  -0.428  -0.187  0.00  0.00    +0.258 A 
ATOM     28  O   LIG    1       -9.119  -0.486   0.291  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.090   0.725   0.063  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -7.756   1.846   0.810  0.00  0.00    +0.111 C 
ATOM     31  S   LIG    1       -6.864   3.420   0.721  0.00  0.00    -0.155 S 
ATOM     32  C   LIG    1       -5.208   2.762   1.002  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1       -4.826   1.782  -0.105  0.00  0.00    +0.064 C 
ATOM     34  C   LIG    1       -5.817   0.661  -0.384  0.00  0.00    +0.033 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6