REMARK  Name = BDB063861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.393   2.897   2.921  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.088   2.202   1.972  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.945   1.295   1.161  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.244   1.120   1.432  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.182   0.711   0.173  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.012   1.193   0.351  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.125   2.058   1.383  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.941   2.564   1.671  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.182   0.242   0.712  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.202  -0.382   1.449  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.127  -1.199   0.774  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.070  -1.396  -0.607  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.049  -2.225  -1.131  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.829  -2.646  -0.163  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.054  -0.752  -1.337  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.458  -2.090   1.413  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.127   0.063  -0.673  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.067   0.859  -0.434  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.830   0.102  -1.071  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.464   0.914  -0.041  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -4.355   0.720  -1.272  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -4.633  -0.775  -1.304  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -4.829  -1.114   0.163  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.807  -0.251   0.901  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3