REMARK  Name = BDB048233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.595   0.194   0.133  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        0.364  -0.471   0.281  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.854   0.202   0.030  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.794   1.540  -0.358  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -2.084   1.975  -0.541  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -2.335   2.911  -0.826  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.982   0.971  -0.280  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -4.384   0.964  -0.332  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -5.348   2.051  -0.723  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -6.661   1.507  -0.144  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -6.555  -0.026  -0.168  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.080  -0.214  -0.022  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -4.374  -1.337   0.315  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -4.819  -2.686   0.658  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -5.971  -3.067   0.701  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -3.693  -3.404   0.908  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -3.696  -4.378   1.162  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -2.557  -2.668   0.752  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -1.419  -3.066   0.897  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -2.983  -1.323   0.371  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        0.410   2.235  -0.508  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.238  -0.169   0.078  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        1.597   1.538  -0.256  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  27
ATOM     24  C   LIG    1        5.051  -0.556   0.802  0.00  0.00    +0.100 A 
ATOM     25  S   LIG    1        4.688  -2.234   0.690  0.00  0.00    -0.078 S 
ATOM     26  C   LIG    1        3.053  -1.848   0.351  0.00  0.00    +0.075 A 
ATOM     27  C   LIG    1        2.868  -0.479   0.380  0.00  0.00    +0.078 A 
ATOM     28  N   LIG    1        4.019   0.249   0.658  0.00  0.00    -0.242 NA
BRANCH  24  29
ATOM     29  C   LIG    1        6.419  -0.091   1.145  0.00  0.00    +0.228 C 
BRANCH  29  31
ATOM     30  C   LIG    1        8.927   0.642   0.254  0.00  0.00    +0.194 C 
ATOM     31  S   LIG    1        7.414  -0.077  -0.334  0.00  0.00    -0.028 S 
ATOM     32  O   LIG    1        6.862   0.856  -1.297  0.00  0.00    -0.174 OA
ATOM     33  O   LIG    1        7.729  -1.444  -0.711  0.00  0.00    -0.174 OA
ENDBRANCH  29  31
ENDBRANCH  24  29
ENDBRANCH   1  27
TORSDOF 3