REMARK  Name = BDB059508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.211  -2.979  -0.443  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.315  -1.870  -0.549  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.431  -0.784  -0.982  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -0.059   0.141  -0.822  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.706  -1.577  -0.230  0.00  0.00    +0.074 A 
ATOM      6  S   LIG    1        2.615  -2.737   0.658  0.00  0.00    -0.088 S 
ATOM      7  C   LIG    1        4.001  -1.765   0.637  0.00  0.00    -0.003 A 
ATOM      8  C   LIG    1        5.289  -2.152   1.291  0.00  0.00    +0.061 C 
ATOM      9  C   LIG    1        6.457  -1.392   0.628  0.00  0.00    +0.110 C 
ATOM     10  N   LIG    1        6.183   0.063   0.560  0.00  0.00    -0.325 N 
ATOM     11  C   LIG    1        4.941   0.419  -0.179  0.00  0.00    +0.141 C 
ATOM     12  C   LIG    1        3.816  -0.576  -0.033  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        2.484  -0.471  -0.540  0.00  0.00    +0.026 A 
BRANCH  10  14
ATOM     14  C   LIG    1        7.256   0.930   0.290  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        7.128   2.302   0.569  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        8.167   3.205   0.319  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        9.368   2.751  -0.214  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        9.527   1.397  -0.489  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        8.484   0.499  -0.235  0.00  0.00    +0.023 A 
ENDBRANCH  10  14
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1       -1.859  -0.913  -1.222  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.701  -0.801   0.067  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.241  -1.712   1.071  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -1.899  -2.513   0.625  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -4.193  -1.061  -0.263  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.130  -1.013   0.878  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -6.513  -1.295   0.452  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -7.218  -0.131  -0.215  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.795   1.194   0.009  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.485   2.255  -0.592  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.601   2.007  -1.391  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.032   0.699  -1.599  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.567   1.468   0.842  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -8.348  -0.365  -1.012  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.108   0.241   1.643  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7