REMARK  Name = BDB025431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.567  -2.005   1.494  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -1.133  -1.020   0.675  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -2.449  -0.509   0.723  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1       -3.214  -0.903   1.601  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1       -0.218  -0.536  -0.225  0.00  0.00    -0.166 NA
ATOM      6  C   LIG    1        0.915  -1.176   0.075  0.00  0.00    +0.084 A 
ATOM      7  C   LIG    1        2.206  -0.959  -0.657  0.00  0.00    +0.167 C 
ATOM      8  N   LIG    1        3.349  -1.615   0.062  0.00  0.00    -0.170 NA
ATOM      9  C   LIG    1        3.002  -2.980   0.589  0.00  0.00    +0.114 C 
ATOM     10  C   LIG    1        1.869  -2.942   1.630  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        0.751  -2.104   1.126  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -2.765   0.547  -0.329  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -4.237   0.525  -0.714  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -5.116   1.521  -0.257  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -6.452   1.485  -0.676  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -6.928   0.446  -1.478  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -6.064  -0.561  -1.895  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -4.665   2.629   0.478  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -5.397   3.004   1.077  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -3.389   2.470   1.157  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -4.723  -0.520  -1.521  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.347   1.931   0.188  0.00  0.00    +0.036 C 
ENDBRANCH   3  12
BRANCH   1  23
ATOM     23  N   LIG    1       -1.256  -2.681   2.442  0.00  0.00    -0.343 N 
ATOM     24  H   LIG    1       -2.192  -2.349   2.705  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1       -0.772  -3.139   3.209  0.00  0.00    +0.144 HD
ENDBRANCH   1  23
BRANCH   8  26
ATOM     26  S   LIG    1        4.194  -0.618   1.153  0.00  0.00    +0.061 S 
ATOM     27  O   LIG    1        5.260  -1.400   1.741  0.00  0.00    -0.153 OA
ATOM     28  O   LIG    1        3.222   0.063   1.982  0.00  0.00    -0.153 OA
BRANCH  26  29
ATOM     29  C   LIG    1        4.953   0.574   0.078  0.00  0.00    +0.105 A 
ATOM     30  C   LIG    1        5.921   0.141  -0.834  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        6.523   1.068  -1.685  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        6.160   2.414  -1.619  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.198   2.841  -0.701  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        4.592   1.922   0.155  0.00  0.00    +0.028 A 
ENDBRANCH  26  29
ENDBRANCH   8  26
TORSDOF 4