REMARK  Name = BDB048016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.828  -0.326  -0.892  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -0.017  -1.102  -1.773  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        1.308  -0.735  -1.548  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        2.367  -1.315  -2.271  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1        2.065  -2.289  -3.226  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.751  -2.681  -3.455  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        1.305   0.215  -0.538  0.00  0.00    -0.331 N 
ATOM      8  C   LIG    1       -0.295  -2.099  -2.734  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.001   0.527  -0.162  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -5.068  -0.464  -0.463  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -4.238  -0.786   0.614  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -2.848  -0.755   0.478  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -2.274  -0.395  -0.744  0.00  0.00    -0.015 A 
ATOM     14  C   LIG    1       -3.103  -0.084  -1.827  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -4.495  -0.117  -1.687  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -7.293  -0.097  -1.214  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -6.407  -0.535  -0.193  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   9  18
ATOM     18  C   LIG    1       -0.342   1.526   0.835  0.00  0.00    +0.280 C 
ATOM     19  N   LIG    1       -1.476   2.272   0.515  0.00  0.00    -0.185 N 
ATOM     20  H   LIG    1       -1.993   2.097  -0.340  0.00  0.00    +0.176 HD
ATOM     21  O   LIG    1        0.332   1.767   1.825  0.00  0.00    -0.267 OA
BRANCH  19  22
ATOM     22  S   LIG    1       -2.327   3.175   1.608  0.00  0.00    +0.043 S 
ATOM     23  O   LIG    1       -2.515   2.404   2.815  0.00  0.00    -0.155 OA
ATOM     24  O   LIG    1       -3.461   3.693   0.871  0.00  0.00    -0.155 OA
ATOM     25  C   LIG    1       -1.234   4.543   1.939  0.00  0.00    +0.218 C 
ENDBRANCH  19  22
ENDBRANCH   9  18
BRANCH   7  26
ATOM     26  C   LIG    1        2.523   0.861  -0.039  0.00  0.00    +0.157 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.328  -0.032   0.878  0.00  0.00    -0.027 A 
ATOM     28  C   LIG    1        4.673  -0.314   0.585  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        5.446  -1.136   1.424  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1        4.864  -1.656   2.587  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        3.536  -1.371   2.898  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        2.775  -0.563   2.052  0.00  0.00    +0.005 A 
BRANCH  29  33
ATOM     33  C   LIG    1        6.892  -1.418   1.095  0.00  0.00    +0.417 C 
ATOM     34  F   LIG    1        7.340  -2.600   1.602  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        7.128  -1.476  -0.246  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1        7.729  -0.460   1.580  0.00  0.00    -0.166 F 
ENDBRANCH  29  33
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 7