REMARK  Name = BDB004693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.162   1.177  -0.617  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.914   0.560  -1.481  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        1.618  -0.568  -1.029  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        2.613  -1.144  -1.820  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        2.913  -0.603  -3.069  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        2.215   0.512  -3.531  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.219   1.092  -2.742  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1        3.339  -2.258  -1.316  0.00  0.00    -0.216 N 
ATOM      9  H   LIG    1        2.867  -2.866  -0.649  0.00  0.00    +0.174 HD
BRANCH   8  10
ATOM     10  S   LIG    1        4.974  -2.065  -0.934  0.00  0.00    +0.072 S 
ATOM     11  O   LIG    1        5.705  -1.669  -2.119  0.00  0.00    -0.150 OA
ATOM     12  O   LIG    1        5.352  -3.244  -0.182  0.00  0.00    -0.150 OA
BRANCH  10  13
ATOM     13  C   LIG    1        4.963  -0.693   0.198  0.00  0.00    +0.108 A 
ATOM     14  C   LIG    1        4.723  -0.924   1.556  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        4.719   0.151   2.444  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        4.964   1.444   1.977  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.220   1.667   0.623  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        5.227   0.598  -0.272  0.00  0.00    +0.029 A 
ENDBRANCH  10  13
ENDBRANCH   8  10
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1       -1.277   0.241  -0.525  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -1.611  -0.011  -1.452  0.00  0.00    +0.148 HD
BRANCH  19  24
ATOM     21  C   LIG    1       -5.711  -0.441   1.311  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1       -4.562   0.366   1.169  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -3.502  -0.142   0.393  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -2.368   0.687   0.251  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1       -2.275   1.882   0.853  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1       -3.325   2.271   1.572  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1       -3.599  -1.430  -0.193  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -4.737  -2.209  -0.037  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1       -4.459   1.583   1.750  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1       -5.792  -1.713   0.710  0.00  0.00    +0.015 A 
BRANCH  21  34
ATOM     31  N   LIG    1       -6.909   1.198   2.699  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1       -6.098   1.807   2.636  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -7.710   1.480   3.246  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1       -6.915  -0.025   2.098  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1       -7.894  -0.755   2.208  0.00  0.00    -0.270 OA
ENDBRANCH  21  34
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 7