REMARK  Name = BDB051979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.054  -0.561  -2.998  0.00  0.00    -0.485 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1        2.523  -2.673   1.271  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1        2.634  -1.612   0.209  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1        3.607  -0.602   0.308  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1        3.692   0.365  -0.694  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        2.812   0.331  -1.780  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        1.834  -0.659  -1.883  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        1.756  -1.635  -0.891  0.00  0.00    +0.052 A 
BRANCH   4   9
ATOM      9  O   LIG    1        4.417  -0.664   1.411  0.00  0.00    -0.481 OA
BRANCH   9  10
ATOM     10  C   LIG    1        5.347   0.393   1.603  0.00  0.00    +0.349 C 
BRANCH  10  11
ATOM     11  C   LIG    1        6.119   0.218   2.896  0.00  0.00    +0.343 C 
ATOM     12  O   LIG    1        7.277   0.564   3.084  0.00  0.00    -0.247 OA
BRANCH  11  13
ATOM     13  O   LIG    1        5.401  -0.312   3.906  0.00  0.00    -0.478 OA
ATOM     14  H   LIG    1        6.029  -0.352   4.657  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   4   9
ENDBRANCH   1   7
BRANCH   1  15
ATOM     15  C   LIG    1       -0.157  -1.318  -3.086  0.00  0.00    +0.291 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.275  -0.538  -2.459  0.00  0.00    +0.116 A 
ATOM     17  S   LIG    1       -1.881  -0.973  -0.910  0.00  0.00    -0.068 S 
ATOM     18  C   LIG    1       -3.010   0.317  -0.986  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1       -2.873   0.982  -2.195  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1       -3.663   2.149  -2.671  0.00  0.00    +0.067 C 
ATOM     21  N   LIG    1       -1.889   0.477  -3.032  0.00  0.00    -0.245 NA
BRANCH  18  22
ATOM     22  C   LIG    1       -3.907   0.575   0.138  0.00  0.00    -0.009 A 
ATOM     23  C   LIG    1       -3.847   1.799   0.819  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -4.707   2.059   1.890  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -5.633   1.095   2.283  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -6.693   1.415   3.599  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -5.707  -0.125   1.615  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -4.846  -0.385   0.545  0.00  0.00    +0.010 A 
ENDBRANCH  18  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8