REMARK  Name = BDB034868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.618  -1.490   0.008  0.00  0.00    -0.309 N 
ATOM      2  C   LIG    1       -0.764  -1.304   0.040  0.00  0.00    +0.149 C 
ATOM      3  N   LIG    1       -1.329  -0.267  -0.496  0.00  0.00    -0.155 NA
ATOM      4  S   LIG    1       -1.677  -2.573   0.881  0.00  0.00    -0.093 S 
ATOM      5  C   LIG    1       -0.657  -3.969   0.345  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1        0.800  -3.820   0.766  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1        1.247  -2.378   0.987  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        5.578   2.617  -1.023  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        5.111   1.428  -1.825  0.00  0.00    +0.212 C 
ATOM     10  N   LIG    1        3.910   0.831  -1.441  0.00  0.00    -0.302 N 
ATOM     11  C   LIG    1        2.933   1.498  -0.578  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        2.087   0.502   0.209  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        1.469  -0.534  -0.730  0.00  0.00    +0.078 C 
ATOM     14  C   LIG    1        2.554  -1.242  -1.547  0.00  0.00    +0.041 C 
ATOM     15  C   LIG    1        3.384  -0.220  -2.314  0.00  0.00    +0.109 C 
ATOM     16  O   LIG    1        5.790   1.014  -2.764  0.00  0.00    -0.276 OA
ENDBRANCH   1  13
BRANCH   3  17
ATOM     17  C   LIG    1       -2.695  -0.168  -0.475  0.00  0.00    +0.271 C 
ATOM     18  O   LIG    1       -3.436  -0.760  -1.250  0.00  0.00    -0.268 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -3.182   0.785   0.525  0.00  0.00    +0.065 A 
ATOM     20  C   LIG    1       -4.550   1.115   0.803  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -4.547   2.059   1.825  0.00  0.00    +0.139 A 
ATOM     22  N   LIG    1       -5.608   2.650   2.404  0.00  0.00    -0.237 NA
ATOM     23  C   LIG    1       -6.787   2.234   1.887  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1       -6.942   1.301   0.871  0.00  0.00    +0.020 A 
ATOM     25  N   LIG    1       -3.250   2.307   2.168  0.00  0.00    -0.345 N 
ATOM     26  H   LIG    1       -2.982   2.960   2.890  0.00  0.00    +0.167 HD
ATOM     27  C   LIG    1       -5.806   0.721   0.307  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -2.411   1.549   1.395  0.00  0.00    +0.098 A 
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 3