REMARK  Name = BDB049753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.784  -0.208   1.280  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1        1.356  -0.191  -0.005  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        0.503  -0.189  -1.120  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -0.886  -0.236  -0.971  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -1.472  -0.275   0.293  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -0.615  -0.259   1.411  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        2.805  -0.148  -0.253  0.00  0.00    +0.113 A 
ATOM      8  S   LIG    1        3.854  -1.324   0.441  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        5.197  -0.613  -0.365  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        4.746   0.457  -1.138  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        5.683   1.186  -1.898  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        7.036   0.832  -1.862  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        7.463  -0.239  -1.083  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.552  -0.980  -0.322  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        3.384   0.696  -1.084  0.00  0.00    -0.239 NA
ENDBRANCH   2   7
BRANCH   1  17
ATOM     16  C   LIG    1        1.101  -0.102   3.654  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        1.649  -0.152   2.344  0.00  0.00    -0.494 OA
ENDBRANCH   1  17
BRANCH   5  18
ATOM     18  N   LIG    1       -2.858  -0.338   0.514  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1       -3.135  -0.304   1.487  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.962  -0.416  -0.350  0.00  0.00    +0.141 A 
ATOM     21  C   LIG    1       -5.272  -0.432   0.159  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1       -6.349  -0.514  -0.717  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1       -7.602  -0.519  -0.035  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1       -7.458  -0.442   1.331  0.00  0.00    +0.048 A 
ATOM     25  N   LIG    1       -6.199  -0.581  -2.061  0.00  0.00    -0.235 NA
ATOM     26  C   LIG    1       -4.926  -0.562  -2.461  0.00  0.00    +0.224 A 
ATOM     27  S   LIG    1       -5.816  -0.364   1.795  0.00  0.00    -0.092 S 
ATOM     28  N   LIG    1       -3.829  -0.485  -1.694  0.00  0.00    -0.219 NA
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 4