REMARK  Name = BDB035959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.748  -2.327   1.387  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.355  -1.560   0.948  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.434  -2.417   1.097  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.764  -2.082   0.811  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.029  -0.783   0.323  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        1.955   0.089   0.146  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        1.923   1.468  -0.409  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        0.510   1.876   0.005  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -0.290   0.683   0.125  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        0.990  -3.623   1.538  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        0.642  -0.296   0.437  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1       -0.387  -3.582   1.684  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.090  -1.977   1.470  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -2.696  -2.755   1.726  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -2.599  -0.601   2.301  0.00  0.00    +0.081 S 
ATOM     16  O   LIG    1       -1.435  -0.029   2.951  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -3.743  -1.029   3.083  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.746   0.039  -0.144  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -3.222   0.518   1.067  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -3.174   1.904   1.316  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -3.624   2.791   0.329  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -4.136   2.314  -0.876  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -4.213   0.944  -1.105  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -3.346  -1.759  -1.582  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.913  -1.305  -0.351  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
BRANCH  20  26
ATOM     26  O   LIG    1       -2.724   2.316   2.540  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -2.569   3.708   2.777  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  28
ATOM     28  C   LIG    1        4.447  -0.395  -0.018  0.00  0.00    +0.179 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.879  -1.004  -1.269  0.00  0.00    -0.266 N 
ATOM     30  N   LIG    1        5.608  -2.142  -1.250  0.00  0.00    -0.178 NA
ATOM     31  C   LIG    1        5.825  -2.395  -2.546  0.00  0.00    +0.154 A 
ATOM     32  C   LIG    1        5.257  -1.419  -3.382  0.00  0.00    +0.078 A 
ATOM     33 CL   LIG    1        5.317  -1.377  -5.070  0.00  0.00    -0.080 Cl
ATOM     34  C   LIG    1        4.659  -0.524  -2.531  0.00  0.00    +0.128 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7