REMARK  Name = BDB053463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.867  -0.950   0.616  0.00  0.00    -0.290 N 
ATOM      2  H   LIG    1        1.254  -1.641   1.258  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        5.428  -0.193   0.338  0.00  0.00    +0.076 A 
ATOM      4  N   LIG    1        4.252   0.292  -0.190  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1        3.241  -0.446   0.375  0.00  0.00    +0.179 A 
ATOM      6  C   LIG    1        1.851  -0.181   0.022  0.00  0.00    +0.167 A 
ATOM      7  N   LIG    1        1.593   0.776  -0.842  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.640   1.494  -1.386  0.00  0.00    +0.131 A 
ATOM      9  N   LIG    1        3.672  -1.360   1.218  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        3.935   1.288  -1.094  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        5.036  -1.205   1.197  0.00  0.00    +0.140 A 
BRANCH   3  16
ATOM     12  C   LIG    1       10.466   0.131   0.479  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1        9.076   0.357   0.163  0.00  0.00    -0.274 N 
ATOM     14  N   LIG    1        8.745   1.321  -0.714  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        7.411   1.252  -0.767  0.00  0.00    +0.144 A 
ATOM     16  C   LIG    1        6.889   0.251   0.071  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        7.998  -0.313   0.662  0.00  0.00    +0.118 A 
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.480  -0.924   0.473  0.00  0.00    +0.091 A 
ATOM     19  S   LIG    1       -1.502  -2.002   1.341  0.00  0.00    +0.027 S 
ATOM     20  N   LIG    1       -2.932  -1.446   0.723  0.00  0.00    -0.213 NA
ATOM     21  C   LIG    1       -2.678  -0.459  -0.137  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1       -1.294  -0.128  -0.308  0.00  0.00    +0.056 A 
BRANCH  21  23
ATOM     23  C   LIG    1       -3.829   0.218  -0.841  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -4.689  -0.776  -1.641  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -5.926  -1.200  -0.859  0.00  0.00    +0.109 C 
ATOM     26  N   LIG    1       -6.779  -0.019  -0.582  0.00  0.00    -0.181 NA
ATOM     27  C   LIG    1       -6.082   1.270  -0.372  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1       -4.668   1.051   0.143  0.00  0.00    +0.027 C 
BRANCH  26  29
ATOM     29  S   LIG    1       -8.234  -0.287   0.236  0.00  0.00    +0.029 S 
ATOM     30  O   LIG    1       -8.799  -1.530  -0.244  0.00  0.00    -0.158 OA
ATOM     31  O   LIG    1       -8.996   0.943   0.204  0.00  0.00    -0.158 OA
ATOM     32  C   LIG    1       -7.687  -0.547   1.913  0.00  0.00    +0.215 C 
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH   1  18
TORSDOF 5