REMARK  Name = BDB061598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.403   0.555  -1.016  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1        0.831   1.446  -1.908  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1       -0.554   1.448  -1.943  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -1.315   0.611  -1.200  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1       -0.676  -0.224  -0.378  0.00  0.00    +0.190 A 
ATOM      6  N   LIG    1        0.655  -0.288  -0.262  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.640   0.060  -0.393  0.00  0.00    +0.162 A 
ATOM      8  C   LIG    1        4.826  -1.054  -0.670  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        3.451  -0.873  -0.872  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        2.856   0.401  -0.799  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        3.682   1.492  -0.489  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        5.058   1.326  -0.296  0.00  0.00    +0.050 A 
BRANCH   7  14
ATOM     13  C   LIG    1        7.836   0.912   0.004  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        6.977  -0.196  -0.222  0.00  0.00    -0.491 OA
ENDBRANCH   7  14
BRANCH   8  15
ATOM     15  O   LIG    1        5.463  -2.268  -0.740  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1        4.653  -3.433  -0.786  0.00  0.00    +0.277 C 
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  C   LIG    1        1.612   2.281  -2.762  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        2.244   2.958  -3.462  0.00  0.00    -0.191 NA
ENDBRANCH   2  17
BRANCH   3  19
ATOM     19  S   LIG    1       -1.504   2.527  -3.007  0.00  0.00    -0.042 S 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.375   4.000  -2.063  0.00  0.00    +0.141 A 
ATOM     21  S   LIG    1       -2.325   5.386  -2.417  0.00  0.00    -0.069 S 
ATOM     22  C   LIG    1       -1.566   6.222  -1.128  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1       -0.645   5.397  -0.521  0.00  0.00    +0.120 A 
ATOM     24  N   LIG    1       -0.534   4.129  -1.058  0.00  0.00    -0.241 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
BRANCH   5  25
ATOM     25  S   LIG    1       -1.609  -1.351   0.618  0.00  0.00    -0.081 S 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.294  -0.759   0.277  0.00  0.00    +0.112 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.319  -1.534   1.067  0.00  0.00    -0.037 A 
ATOM     28  C   LIG    1       -4.730  -1.090   2.331  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.676  -1.810   3.065  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -6.213  -2.998   2.558  0.00  0.00    -0.050 A 
ATOM     31  C   LIG    1       -7.244  -3.767   3.330  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -5.803  -3.445   1.297  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -4.861  -2.723   0.561  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 9