REMARK  Name = BDB059331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.375  -0.217  -1.950  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.461  -0.439  -0.745  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.665  -0.736  -0.135  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.781  -0.701   0.876  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.742  -0.410   0.125  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.967  -0.786  -0.438  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -3.125  -0.759   0.338  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1       -3.064  -0.384   1.683  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.847   0.009   2.240  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -0.686   0.005   1.463  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -4.290  -1.183  -0.261  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.410  -0.406  -0.076  0.00  0.00    +0.128 A 
ATOM     13  C   LIG    1       -6.592  -1.065   0.264  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -7.769  -0.337   0.434  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.767   1.046   0.250  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.589   1.702  -0.112  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -5.410   0.976  -0.284  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1        2.925  -0.377  -0.938  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.659  -0.111  -1.900  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.818   0.913  -0.249  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        3.611   2.072  -1.088  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.514   0.932   1.169  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.479   0.337  -0.462  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        6.250   0.816  -1.524  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        7.565   0.372  -1.672  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        8.102  -0.537  -0.758  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.331  -1.003   0.308  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.016  -0.565   0.463  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 6