REMARK  Name = BDB049391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.963  -0.034  -0.672  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -2.522  -0.858   0.364  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -1.196  -0.775   0.810  0.00  0.00    +0.136 A 
ATOM      4  C   LIG    1       -0.296   0.101   0.195  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -0.739   0.929  -0.844  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -2.068   0.859  -1.268  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.115   0.188   0.641  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1        2.052   0.162  -0.367  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1        1.775  -0.150  -1.288  0.00  0.00    +0.150 HD
ATOM     10  O   LIG    1        1.411   0.293   1.824  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.445   0.030  -0.047  0.00  0.00    +0.174 C 
ATOM     12  S   LIG    1        4.331  -0.356  -1.556  0.00  0.00    -0.110 S 
ATOM     13  C   LIG    1        5.249   1.194  -1.474  0.00  0.00    +0.212 C 
ATOM     14  N   LIG    1        4.917   1.996  -0.289  0.00  0.00    -0.282 NA
ATOM     15  C   LIG    1        4.013   1.365   0.396  0.00  0.00    +0.112 C 
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1       -5.179  -0.898  -0.627  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -4.226  -0.007  -1.195  0.00  0.00    -0.495 OA
ENDBRANCH   1  17
BRANCH   3  18
ATOM     18  O   LIG    1       -0.777  -1.649   1.779  0.00  0.00    -0.494 OA
ATOM     19  C   LIG    1       -1.163  -1.181   3.073  0.00  0.00    +0.277 C 
ENDBRANCH   3  18
TORSDOF 4