REMARK  Name = BDB061906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.611   0.412   2.234  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.568   1.375   2.571  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -2.913   1.168   2.261  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.322  -0.012   1.624  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1       -2.361  -0.980   1.300  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.014  -0.775   1.607  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.055   1.316   3.594  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.816   0.675   2.578  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        1.721   0.184   1.667  0.00  0.00    -0.261 N 
ATOM     10  H   LIG    1        1.399  -0.217   0.799  0.00  0.00    +0.157 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.088   0.256   1.736  0.00  0.00    +0.165 A 
ATOM     12  S   LIG    1        3.926   0.896   3.070  0.00  0.00    -0.060 S 
ATOM     13  C   LIG    1        5.413   0.564   2.284  0.00  0.00    +0.076 A 
ATOM     14  C   LIG    1        5.178  -0.014   1.051  0.00  0.00    +0.080 A 
ATOM     15  N   LIG    1        3.832  -0.200   0.755  0.00  0.00    -0.225 NA
BRANCH  14  16
ATOM     16  C   LIG    1        6.219  -0.432   0.115  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        7.532   0.059   0.186  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        8.503  -0.364  -0.728  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.174  -1.280  -1.724  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.875  -1.772  -1.813  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.904  -1.349  -0.900  0.00  0.00    +0.010 A 
ENDBRANCH  14  16
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   4  22
ATOM     22  C   LIG    1       -4.777  -0.227   1.278  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.193   0.558   0.046  0.00  0.00    +0.092 A 
ATOM     24  C   LIG    1       -5.031  -0.072  -1.280  0.00  0.00    +0.099 A 
ATOM     25  C   LIG    1       -5.388   0.666  -2.390  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -5.241   0.088  -3.651  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1       -4.744  -1.210  -3.744  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -4.415  -1.877  -2.572  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -5.913   2.021  -2.208  0.00  0.00    +0.274 A 
ATOM     30  O   LIG    1       -6.239   2.706  -3.170  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.019   2.461  -0.909  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1       -6.378   3.400  -0.761  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -4.547  -1.341  -1.337  0.00  0.00    -0.253 NA
ATOM     34  N   LIG    1       -5.666   1.762   0.207  0.00  0.00    -0.173 NA
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5