REMARK  Name = BDB058886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.054  -0.362  -0.863  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.162  -0.476  -1.885  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        2.515  -0.460  -1.075  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1        1.446  -0.459  -0.192  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1        1.522   0.088   0.668  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1        2.358  -0.613  -2.284  0.00  0.00    -0.269 OA
BRANCH   3   9
ATOM      7  C   LIG    1        6.154   0.525  -0.848  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        4.879   0.242  -1.343  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.862  -0.215  -0.491  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        4.143  -0.452   0.859  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        5.430  -0.228   1.347  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        6.431   0.242   0.492  0.00  0.00    +0.023 A 
BRANCH   7  13
ATOM     13  N   LIG    1        7.189   0.871  -1.722  0.00  0.00    -0.358 N 
ATOM     14  H   LIG    1        7.965   1.355  -1.280  0.00  0.00    +0.142 HD
ATOM     15  H   LIG    1        6.879   1.333  -2.572  0.00  0.00    +0.142 HD
ENDBRANCH   7  13
ENDBRANCH   3   9
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  S   LIG    1       -0.734   1.130  -0.570  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1       -0.695   1.884  -1.803  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1       -0.196   1.658   0.669  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -2.395   0.591  -0.279  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1       -2.747   0.116   0.989  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -4.063  -0.296   1.244  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -5.029  -0.220   0.212  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -6.345  -0.634   0.472  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -6.705  -1.117   1.731  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.756  -1.191   2.746  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.655   0.271  -1.051  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -4.443  -0.783   2.505  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -3.343   0.680  -1.298  0.00  0.00    +0.029 A 
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5