REMARK  Name = BDB051377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.567  -0.697  -1.222  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -2.131   0.507  -0.663  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -1.059   0.524   0.233  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.393  -0.655   0.569  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.803  -1.853  -0.011  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.879  -1.870  -0.909  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -3.924  -0.691  -2.378  0.00  0.00    -0.111 S 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.344  -1.284  -1.359  0.00  0.00    +0.160 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.384  -2.810  -1.251  0.00  0.00    +0.318 C 
ATOM     10  O   LIG    1       -4.441  -3.579  -1.346  0.00  0.00    -0.250 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -6.637  -3.284  -1.009  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1       -7.337  -2.605  -0.966  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1       -5.498  -0.638   0.028  0.00  0.00    +0.026 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.779   0.870   0.034  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.419   2.723  -0.437  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -7.128   1.238  -0.586  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1        0.634  -0.499   1.459  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.367  -1.673   1.816  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.460  -1.276   2.807  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.514  -0.369   2.175  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.220  -1.116   1.183  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.205  -0.467   0.493  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        5.601   0.857   0.671  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        6.639   1.402  -0.112  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.291   0.616  -1.086  0.00  0.00    +0.071 A 
ATOM     26  N   LIG    1        8.285   1.095  -1.854  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1        8.661   2.380  -1.674  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        8.086   3.230  -0.749  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.879  -0.698  -1.245  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1        7.059   2.731   0.043  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1        5.849  -1.241  -0.469  0.00  0.00    +0.048 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 13