REMARK  Name = BDB059199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.644   0.545  -0.498  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -1.326   0.688  -0.662  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -0.510  -0.182  -0.017  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -1.001  -1.215   0.765  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -2.380  -1.291   0.848  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -3.211  -0.418   0.234  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.922   0.080  -0.243  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.805   0.342   0.816  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        3.162   0.588   0.579  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        3.675   0.590  -0.725  0.00  0.00    -0.045 A 
ATOM     11  C   LIG    1        2.796   0.346  -1.786  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        1.440   0.099  -1.548  0.00  0.00    +0.010 A 
BRANCH  10  13
ATOM     13  C   LIG    1        5.144   0.852  -1.005  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1        6.038  -0.213  -0.364  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1        5.561   2.255  -0.558  0.00  0.00    +0.012 C 
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   4  16
ATOM     16  C   LIG    1       -0.145  -2.146   1.425  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1        0.552  -2.883   1.990  0.00  0.00    -0.191 NA
ENDBRANCH   4  16
BRANCH   1  18
ATOM     18  S   LIG    1       -3.736   1.655  -1.335  0.00  0.00    -0.073 S 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.811   3.203  -1.116  0.00  0.00    +0.165 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -2.783   4.032   1.423  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       -2.798   3.658   0.281  0.00  0.00    -0.094 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
BRANCH   5  22
ATOM     22  S   LIG    1       -3.227  -2.551   1.794  0.00  0.00    -0.027 S 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.868  -3.401   0.437  0.00  0.00    +0.215 A 
ATOM     24  N   LIG    1       -5.107  -3.198  -0.096  0.00  0.00    -0.223 N 
ATOM     25  C   LIG    1       -6.151  -2.292   0.292  0.00  0.00    +0.177 C 
ATOM     26  N   LIG    1       -5.262  -3.993  -1.170  0.00  0.00    -0.043 NA
ATOM     27  N   LIG    1       -4.124  -4.668  -1.271  0.00  0.00    -0.022 NA
ATOM     28  N   LIG    1       -3.242  -4.305  -0.280  0.00  0.00    -0.101 NA
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 8