REMARK  Name = BDB059969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.661  -0.936   0.080  0.00  0.00    -0.299 NA
ATOM      2  C   LIG    1       -2.032   0.066   1.082  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1       -0.824   0.940   1.525  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1        0.523   0.322   1.414  0.00  0.00    -0.300 NA
ATOM      5  C   LIG    1        0.381  -1.141   1.566  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1       -0.598  -1.825   0.573  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.798  -1.632  -0.535  0.00  0.00    +0.095 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -3.709  -2.439   0.408  0.00  0.00    +0.092 C 
BRANCH   8   9
ATOM      9  S   LIG    1       -5.095  -3.212  -0.489  0.00  0.00    -0.087 S 
BRANCH   9  18
ATOM     10  O   LIG    1       -9.025  -1.481  -2.714  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -8.107  -1.212  -1.949  0.00  0.00    +0.260 A 
ATOM     12  C   LIG    1       -7.953   0.125  -1.348  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -6.869   0.321  -0.485  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1       -6.699   1.579   0.097  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -7.595   2.617  -0.180  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -8.671   2.405  -1.043  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1       -5.948  -0.698  -0.184  0.00  0.00    -0.223 NA
ATOM     18  C   LIG    1       -6.133  -1.843  -0.745  0.00  0.00    +0.170 A 
ATOM     19  C   LIG    1       -8.855   1.154  -1.632  0.00  0.00    +0.015 A 
ATOM     20  N   LIG    1       -7.155  -2.129  -1.595  0.00  0.00    -0.301 N 
ATOM     21  H   LIG    1       -7.228  -3.057  -1.985  0.00  0.00    +0.171 HD
ENDBRANCH   9  18
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1        1.161   0.703   0.141  0.00  0.00    +0.085 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.625   0.263   0.017  0.00  0.00    +0.025 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.497   0.793   1.157  0.00  0.00    +0.100 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.914   0.411   0.959  0.00  0.00    +0.228 A 
ATOM     26  O   LIG    1        5.308  -0.784   1.481  0.00  0.00    -0.338 OA
ATOM     27  N   LIG    1        6.656  -0.929   1.163  0.00  0.00    -0.056 NA
ATOM     28  C   LIG    1        6.948   0.192   0.480  0.00  0.00    +0.202 A 
ATOM     29  N   LIG    1        5.875   1.049   0.335  0.00  0.00    -0.191 NA
BRANCH  28  30
ATOM     30  C   LIG    1        8.266   0.495  -0.068  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        8.482   1.691  -0.770  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1        9.740   1.991  -1.299  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       10.797   1.099  -1.133  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       10.598  -0.093  -0.438  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        9.340  -0.394   0.092  0.00  0.00    +0.012 A 
ENDBRANCH  28  30
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9