REMARK  Name = BDB025383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.558  -0.158   1.015  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.801   0.190   0.852  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.524   1.166   1.549  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.811   1.103   1.080  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        4.038   1.865   1.419  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        5.076   1.722   0.290  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        5.254   0.272  -0.077  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        4.010  -0.316  -0.699  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.805   0.083   0.104  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.597  -0.466  -0.051  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -1.211   0.381   1.907  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -4.489   0.285  -0.826  0.00  0.00    -0.044 A 
ATOM     13  C   LIG    1       -3.127   0.154  -0.517  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -2.543  -1.106  -0.279  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1       -1.062  -1.234   0.064  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -0.790  -2.591   0.729  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1       -1.359  -3.703  -0.130  0.00  0.00    +0.102 C 
ATOM     18  N   LIG    1       -2.789  -3.548  -0.316  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -3.377  -4.197   0.200  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -3.329  -2.264  -0.401  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -4.686  -2.131  -0.716  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -5.263  -0.875  -0.916  0.00  0.00    +0.006 A 
BRANCH  12  24
ATOM     23  C   LIG    1       -6.170   1.984  -0.024  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -5.084   1.663  -1.054  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -5.620   1.815  -2.479  0.00  0.00    +0.012 C 
ENDBRANCH  12  24
ENDBRANCH   1  15
BRANCH   7  26
ATOM     26  S   LIG    1        6.639  -0.079  -0.998  0.00  0.00    +0.029 S 
ATOM     27  O   LIG    1        6.795   0.976  -1.974  0.00  0.00    -0.158 OA
ATOM     28  O   LIG    1        6.566  -1.468  -1.397  0.00  0.00    -0.158 OA
ATOM     29  C   LIG    1        7.934   0.061   0.218  0.00  0.00    +0.215 C 
ENDBRANCH   7  26
BRANCH   3  30
ATOM     30  N   LIG    1        0.979   1.978   2.484  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        1.555   2.474   3.157  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        0.033   1.776   2.830  0.00  0.00    +0.144 HD
ENDBRANCH   3  30
TORSDOF 4