REMARK  Name = BDB059914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.479  -2.520  -0.243  0.00  0.00    +0.202 A 
ATOM      2  C   LIG    1       -0.723  -1.481   0.289  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1        0.572  -1.981   0.326  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        1.669  -1.295   0.893  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        1.483  -0.098   1.372  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        0.221   0.444   1.296  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.560  -3.201  -0.293  0.00  0.00    +0.209 A 
ATOM      8  C   LIG    1       -0.881  -0.154   0.791  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1       -0.649  -3.558  -0.647  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.090   0.678   0.755  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -2.325   1.553  -0.299  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1       -3.414   2.350  -0.403  0.00  0.00    -0.259 NA
ATOM     13  C   LIG    1       -4.333   2.313   0.596  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -4.147   1.488   1.707  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -3.019   0.670   1.790  0.00  0.00    +0.012 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -5.551   3.199   0.490  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -6.321   3.271  -0.809  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -6.928   2.584   0.377  0.00  0.00    +0.010 C 
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  C   LIG    1       -3.535  -1.672  -1.902  0.00  0.00    +0.202 C 
ATOM     20  S   LIG    1       -3.207  -2.637  -0.454  0.00  0.00    +0.013 S 
ATOM     21  O   LIG    1       -3.785  -2.007   0.714  0.00  0.00    -0.168 OA
ATOM     22  O   LIG    1       -3.469  -4.029  -0.762  0.00  0.00    -0.168 OA
ENDBRANCH   1  20
BRANCH   4  23
ATOM     23  N   LIG    1        2.901  -1.923   0.918  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        2.884  -2.928   1.049  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.059  -1.302   1.548  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.643  -0.203   0.706  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        4.954  -0.350  -0.644  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.736  -1.494  -1.563  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        5.594  -1.035  -2.742  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        5.731   0.403  -2.691  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        5.499   0.702  -1.373  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        5.766   1.933  -0.809  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        5.489   2.096   0.547  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        4.944   1.038   1.287  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        4.718   1.231   2.595  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 6