REMARK  Name = BDB016474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.587  -1.950   3.276  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1        0.755  -1.080   2.391  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.237  -0.495   1.226  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1        0.451   0.257   0.438  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -0.827   0.445   0.818  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -1.371  -0.048   1.942  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -0.564  -0.808   2.699  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.661   1.311  -0.032  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -2.952   0.952  -0.505  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -3.685   1.891  -1.263  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.156   3.140  -1.586  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -1.883   3.483  -1.157  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.148   2.579  -0.390  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -3.568  -0.417  -0.222  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -4.668  -0.309   0.837  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -4.105  -1.099  -1.488  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        2.567  -0.738   0.838  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        3.193  -0.526   1.609  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.991  -0.039  -0.373  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.436  -0.307  -0.702  0.00  0.00    +0.007 A 
ATOM     21  S   LIG    1        5.655   0.797  -0.219  0.00  0.00    -0.100 S 
ATOM     22  C   LIG    1        6.888  -0.165  -0.910  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1        6.388  -1.310  -1.490  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        4.971  -1.393  -1.366  0.00  0.00    +0.013 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5