REMARK  Name = BDB025386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.075  -0.781  -0.842  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1       -1.083  -0.184  -1.375  0.00  0.00    -0.201 N 
ATOM      3  C   LIG    1       -2.369  -0.235  -0.881  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -2.803  -0.920   0.363  0.00  0.00    +0.165 C 
ATOM      5  N   LIG    1       -4.216  -0.524   0.673  0.00  0.00    -0.175 NA
ATOM      6  C   LIG    1       -5.101  -0.439  -0.541  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1       -4.621   0.639  -1.531  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1       -3.163   0.475  -1.756  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -2.288   0.926  -2.749  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -1.038   0.533  -2.533  0.00  0.00    -0.149 NA
ATOM     11  O   LIG    1       -0.038  -1.510   0.140  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        3.769   0.768   1.132  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        2.695   0.684   0.238  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        2.551  -0.418  -0.629  0.00  0.00    -0.013 A 
ATOM     15  C   LIG    1        1.369  -0.468  -1.585  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1        1.588  -1.502  -2.696  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1        2.148  -2.794  -2.117  0.00  0.00    +0.102 C 
ATOM     18  N   LIG    1        3.431  -2.540  -1.484  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1        3.869  -3.376  -1.102  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1        3.481  -1.466  -0.585  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1        4.573  -1.353   0.281  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        4.711  -0.256   1.141  0.00  0.00    +0.025 A 
BRANCH  12  25
ATOM     23  C   LIG    1        4.508   3.511   3.614  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        4.779   2.195   2.927  0.00  0.00    +0.214 C 
ATOM     25  N   LIG    1        3.830   1.906   1.963  0.00  0.00    -0.286 N 
ATOM     26  H   LIG    1        3.083   2.578   1.846  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        5.734   1.502   3.257  0.00  0.00    -0.276 OA
ENDBRANCH  12  25
ENDBRANCH   1  15
BRANCH   5  28
ATOM     28  S   LIG    1       -4.408   0.718   1.815  0.00  0.00    +0.029 S 
ATOM     29  O   LIG    1       -3.391   1.719   1.578  0.00  0.00    -0.158 OA
ATOM     30  O   LIG    1       -5.811   1.074   1.855  0.00  0.00    -0.158 OA
ATOM     31  C   LIG    1       -4.032  -0.133   3.333  0.00  0.00    +0.215 C 
ENDBRANCH   5  28
BRANCH   9  32
ATOM     32  N   LIG    1       -2.653   1.670  -3.798  0.00  0.00    -0.341 N 
ATOM     33  H   LIG    1       -1.900   2.118  -4.309  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1       -3.480   2.253  -3.736  0.00  0.00    +0.144 HD
ENDBRANCH   9  32
TORSDOF 4