REMARK  Name = BDB048380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.276  -0.728   0.963  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -1.131  -0.544   0.869  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.986   0.109  -0.162  0.00  0.00    +0.149 C 
ATOM      4  N   LIG    1       -3.361   0.345   0.409  0.00  0.00    -0.177 NA
ATOM      5  C   LIG    1       -3.916  -0.884   1.090  0.00  0.00    +0.115 C 
ATOM      6  C   LIG    1       -3.081  -1.231   2.345  0.00  0.00    +0.072 C 
ATOM      7  C   LIG    1       -1.646  -1.157   1.989  0.00  0.00    +0.044 A 
ATOM      8  N   LIG    1       -0.590  -1.634   2.689  0.00  0.00    -0.279 N 
ATOM      9  H   LIG    1       -0.581  -2.131   3.574  0.00  0.00    +0.189 HD
ATOM     10  N   LIG    1        0.583  -1.392   2.085  0.00  0.00    -0.158 NA
ENDROOT
BRANCH   4  11
ATOM     11  S   LIG    1       -4.442   1.087  -0.671  0.00  0.00    +0.029 S 
ATOM     12  O   LIG    1       -4.258   0.477  -1.970  0.00  0.00    -0.158 OA
ATOM     13  O   LIG    1       -5.744   1.134  -0.042  0.00  0.00    -0.158 OA
ATOM     14  C   LIG    1       -3.820   2.756  -0.727  0.00  0.00    +0.215 C 
ENDBRANCH   4  11
BRANCH   1  15
ATOM     15  N   LIG    1        1.126  -0.277   0.006  0.00  0.00    -0.298 N 
ATOM     16  H   LIG    1        0.722   0.160  -0.811  0.00  0.00    +0.154 HD
BRANCH  15  20
ATOM     17  C   LIG    1        5.148   0.754  -2.679  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        4.535   0.177  -1.438  0.00  0.00    -0.049 A 
ATOM     19  C   LIG    1        3.142   0.190  -1.261  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        2.537  -0.317  -0.095  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.375  -0.833   0.898  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        4.764  -0.839   0.741  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.343  -0.331  -0.420  0.00  0.00    +0.003 A 
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 3