REMARK  Name = BDB060999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.693   0.612   1.587  0.00  0.00    +0.061 S 
ATOM      2  O   LIG    1       -1.712   2.060   1.594  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -2.112  -0.158   2.740  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1       -6.354   0.225  -0.801  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -4.952  -0.031  -0.825  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -4.138   0.392   0.266  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -2.739   0.097   0.227  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -2.172  -0.584  -0.856  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -2.967  -0.977  -1.921  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -4.775   1.092   1.323  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -6.136   1.389   1.305  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.332  -0.702  -1.904  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -6.914   0.974   0.237  0.00  0.00    +0.023 A 
BRANCH   4  14
ATOM     14  N   LIG    1       -7.208  -0.058  -1.895  0.00  0.00    -0.357 N 
ATOM     15  H   LIG    1       -7.271   0.754  -2.507  0.00  0.00    +0.142 HD
ATOM     16  H   LIG    1       -6.919  -0.871  -2.426  0.00  0.00    +0.142 HD
ENDBRANCH   4  14
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  N   LIG    1       -0.118   0.131   1.224  0.00  0.00    -0.177 NA
ATOM     18  C   LIG    1        0.305  -1.249   1.518  0.00  0.00    +0.110 C 
ATOM     19  C   LIG    1        1.417  -1.694   0.574  0.00  0.00    +0.021 C 
ATOM     20  C   LIG    1        2.632  -0.750   0.615  0.00  0.00    -0.004 C 
ATOM     21  C   LIG    1        2.203   0.726   0.752  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1        0.744   0.958   0.367  0.00  0.00    +0.110 C 
BRANCH  20  23
ATOM     23  C   LIG    1        3.516  -1.001  -0.626  0.00  0.00    +0.038 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.881  -0.357  -0.555  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1        5.830  -0.798   0.378  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        7.091  -0.203   0.442  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.419   0.834  -0.429  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.487   1.276  -1.365  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.224   0.682  -1.430  0.00  0.00    +0.003 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 5