REMARK  Name = BDB057339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.364  -2.471  -1.150  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        0.888  -1.518  -0.228  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        0.067  -0.769   0.629  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.829   0.141   1.471  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        2.168   0.097   1.155  0.00  0.00    +0.085 A 
ATOM      6  C   LIG    1       -1.329  -1.012   0.586  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -1.865  -1.926  -0.314  0.00  0.00    +0.049 A 
ATOM      8  S   LIG    1        2.547  -1.115   0.041  0.00  0.00    -0.072 S 
ATOM      9  C   LIG    1       -1.039  -2.637  -1.167  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        0.278   0.936   2.559  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1        0.701   0.889   3.709  0.00  0.00    -0.270 OA
ATOM     12  N   LIG    1       -0.773   1.742   2.220  0.00  0.00    -0.325 N 
ATOM     13  H   LIG    1       -0.883   2.013   1.252  0.00  0.00    +0.145 HD
ATOM     14  H   LIG    1       -0.985   2.450   2.910  0.00  0.00    +0.145 HD
ENDBRANCH   4  10
BRANCH   5  15
ATOM     15  N   LIG    1        3.275   0.814   1.550  0.00  0.00    -0.279 N 
ATOM     16  H   LIG    1        4.179   0.436   1.304  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        3.211   2.122   1.973  0.00  0.00    +0.221 C 
ATOM     18  O   LIG    1        2.231   2.852   1.990  0.00  0.00    -0.275 OA
BRANCH  17  19
ATOM     19  C   LIG    1        4.536   2.659   2.392  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1        5.697   2.716   1.425  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1        5.016   3.984   1.846  0.00  0.00    +0.013 C 
ENDBRANCH  17  19
ENDBRANCH   5  15
BRANCH   1  23
ATOM     22  C   LIG    1        1.081  -4.788  -1.871  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1        1.229  -3.283  -2.108  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1        0.935  -2.924  -3.568  0.00  0.00    +0.012 C 
ENDBRANCH   1  23
BRANCH   7  25
ATOM     25  N   LIG    1       -3.278  -2.064  -0.393  0.00  0.00    -0.216 N 
ATOM     26  H   LIG    1       -3.663  -3.007  -0.373  0.00  0.00    +0.174 HD
BRANCH  25  27
ATOM     27  S   LIG    1       -4.092  -1.110  -1.532  0.00  0.00    +0.072 S 
ATOM     28  O   LIG    1       -5.471  -1.553  -1.516  0.00  0.00    -0.150 OA
ATOM     29  O   LIG    1       -3.332  -1.095  -2.764  0.00  0.00    -0.150 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -4.040   0.506  -0.801  0.00  0.00    +0.108 A 
ATOM     31  C   LIG    1       -4.872   0.796   0.284  0.00  0.00    +0.029 A 
ATOM     32  C   LIG    1       -4.825   2.065   0.862  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -3.962   3.036   0.350  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -3.143   2.745  -0.742  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1       -3.181   1.478  -1.325  0.00  0.00    +0.029 A 
ENDBRANCH  27  30
ENDBRANCH  25  27
ENDBRANCH   7  25
TORSDOF 7