REMARK  Name = BDB051155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.597  -0.008  -0.733  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.032   1.207  -1.264  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.160   1.849  -0.748  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.871   1.284   0.318  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        3.434   0.061   0.845  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.303  -0.580   0.325  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.482  -0.527  -1.331  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.021  -1.798  -0.856  0.00  0.00    +0.247 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.219  -2.187  -1.665  0.00  0.00    +0.145 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -3.102  -1.444  -0.257  0.00  0.00    +0.213 C 
ATOM     11  N   LIG    1       -2.347  -1.308  -1.403  0.00  0.00    -0.312 N 
ATOM     12  H   LIG    1       -2.351  -0.413  -1.876  0.00  0.00    +0.149 HD
ATOM     13  O   LIG    1       -2.946  -2.359   0.543  0.00  0.00    -0.276 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -4.137  -0.345  -0.100  0.00  0.00    +0.096 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.976  -0.519   1.165  0.00  0.00    +0.009 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -6.023   0.585   1.348  0.00  0.00    +0.000 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -7.514  -0.004  -0.654  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -7.424   0.227   0.844  0.00  0.00    -0.003 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1        5.100   1.970   0.869  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  C   LIG    1        6.381   1.400   0.346  0.00  0.00    +0.058 A 
ATOM     21  C   LIG    1        7.268   0.604   0.966  0.00  0.00    +0.204 A 
ATOM     22  N   LIG    1        8.358   0.284   0.221  0.00  0.00    -0.287 N 
ATOM     23  H   LIG    1        9.094  -0.310   0.568  0.00  0.00    +0.172 HD
ATOM     24  C   LIG    1        8.412   0.815  -1.040  0.00  0.00    +0.291 A 
ATOM     25  O   LIG    1        9.290   0.662  -1.870  0.00  0.00    -0.260 OA
ATOM     26  S   LIG    1        6.958   1.796  -1.269  0.00  0.00    -0.028 S 
BRANCH  21  27
ATOM     27  O   LIG    1        7.223   0.084   2.218  0.00  0.00    -0.493 OA
ATOM     28  H   LIG    1        6.403   0.369   2.651  0.00  0.00    +0.294 HD
ENDBRANCH  21  27
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 11