REMARK  Name = BDB003695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.943   0.757   0.003  0.00  0.00    -0.128 NA
ATOM      2  C   LIG    1        0.108   1.463   0.272  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1        0.011   2.948   0.082  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        1.084   3.796   0.378  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.967   5.181   0.200  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.224   5.726  -0.278  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.298   4.890  -0.576  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.353   3.249   0.886  0.00  0.00    +0.209 C 
ATOM      9  O   LIG    1        3.293   3.956   1.226  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1        2.437   1.782   0.988  0.00  0.00    +0.097 C 
ATOM     11  C   LIG    1       -1.184   3.509  -0.398  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        1.423   0.951   0.752  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   1  13
ATOM     13  S   LIG    1       -0.980  -0.855   0.163  0.00  0.00    +0.100 S 
ATOM     14  O   LIG    1       -0.871  -1.192   1.570  0.00  0.00    -0.146 OA
ATOM     15  O   LIG    1       -0.019  -1.428  -0.758  0.00  0.00    -0.146 OA
BRANCH  13  21
ATOM     16  C   LIG    1       -6.689  -2.372  -1.492  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -5.297  -1.956  -1.116  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1       -5.043  -1.365   0.122  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -3.741  -0.997   0.507  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1       -3.588  -0.357   1.863  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -2.659  -1.269  -0.370  0.00  0.00    +0.118 A 
ATOM     22  C   LIG    1       -2.904  -1.861  -1.633  0.00  0.00    -0.023 A 
ATOM     23  C   LIG    1       -1.842  -2.156  -2.658  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1       -4.226  -2.206  -1.976  0.00  0.00    +0.008 A 
ENDBRANCH  13  21
ENDBRANCH   1  13
BRANCH  10  25
ATOM     25  N   LIG    1        3.667   1.187   1.409  0.00  0.00    -0.212 N 
ATOM     26  H   LIG    1        4.244   1.879   1.909  0.00  0.00    +0.174 HD
BRANCH  25  27
ATOM     27  S   LIG    1        4.647   0.734   0.076  0.00  0.00    +0.072 S 
ATOM     28  O   LIG    1        3.908   0.891  -1.159  0.00  0.00    -0.150 OA
ATOM     29  O   LIG    1        5.924   1.381   0.282  0.00  0.00    -0.150 OA
BRANCH  27  30
ATOM     30  C   LIG    1        4.851  -1.001   0.390  0.00  0.00    +0.108 A 
ATOM     31  C   LIG    1        5.936  -1.445   1.151  0.00  0.00    +0.029 A 
ATOM     32  C   LIG    1        6.097  -2.812   1.382  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        5.184  -3.724   0.849  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        4.111  -3.275   0.078  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1        3.943  -1.911  -0.160  0.00  0.00    +0.029 A 
ENDBRANCH  27  30
ENDBRANCH  25  27
ENDBRANCH  10  25
TORSDOF 5