REMARK  Name = BDB057833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.894  -0.582   0.959  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -3.428  -1.805   1.054  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -2.509  -2.779   0.996  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1       -1.141  -2.619   0.856  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -0.480  -3.896   0.846  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1       -1.360  -4.950   0.964  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -0.677  -1.293   0.764  0.00  0.00    +0.131 A 
ATOM      8  S   LIG    1       -2.979  -4.415   1.092  0.00  0.00    -0.077 S 
ATOM      9  N   LIG    1       -1.582  -0.293   0.829  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -4.985   0.712   0.262  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1       -3.813   0.568   1.052  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.512   1.581   1.992  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.344   2.683   2.180  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.506   2.800   1.432  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.824   1.826   0.486  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.701   0.367  -2.162  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.367  -0.298  -0.820  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -6.527  -1.181  -0.354  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  N   LIG    1        0.678  -0.996   0.624  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        1.203  -1.742   0.184  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.980   0.329   0.108  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.473   0.442  -0.102  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.022   0.411  -1.389  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.406   0.501  -1.571  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.279   0.615  -0.477  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        4.718   0.637   0.810  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.335   0.550   0.996  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.733   0.706  -0.673  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.623  -0.134  -0.001  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1        8.972  -0.103  -0.134  0.00  0.00    -0.263 NA
ATOM     31  C   LIG    1        9.473   0.815  -0.985  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        8.689   1.698  -1.707  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        7.306   1.639  -1.547  0.00  0.00    +0.011 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6