REMARK  Name = BDB048232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.097   1.155   2.376  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        0.765   0.580   1.134  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.467  -0.083   0.942  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.341  -0.154   2.026  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -2.454  -0.845   1.611  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -3.252  -1.048   2.195  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.337  -1.217   0.295  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -3.220  -1.926  -0.534  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -4.560  -2.539  -0.230  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -5.119  -2.748  -1.644  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -3.913  -2.974  -2.569  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.859  -2.183  -1.865  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -1.647  -1.743  -2.325  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -1.011  -1.877  -3.634  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -1.478  -2.446  -4.599  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1        0.188  -1.245  -3.539  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1        0.846  -1.177  -4.298  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1        0.404  -0.713  -2.303  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1        1.389  -0.094  -1.955  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -0.777  -1.034  -1.501  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -1.050   0.407   3.274  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -1.091  -0.749  -0.162  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        0.178   1.063   3.428  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  27
ATOM     24  C   LIG    1        4.293   2.699   1.720  0.00  0.00    +0.196 A 
ATOM     25  S   LIG    1        4.473   2.976   3.417  0.00  0.00    -0.056 S 
ATOM     26  C   LIG    1        2.951   2.243   3.705  0.00  0.00    +0.077 A 
ATOM     27  C   LIG    1        2.387   1.832   2.515  0.00  0.00    +0.080 A 
ATOM     28  N   LIG    1        3.164   2.097   1.397  0.00  0.00    -0.221 NA
BRANCH  24  30
ATOM     29  C   LIG    1        5.107   3.052  -0.375  0.00  0.00    +0.195 C 
ATOM     30  N   LIG    1        5.303   3.089   0.899  0.00  0.00    -0.189 NA
BRANCH  29  31
ATOM     31  N   LIG    1        6.097   3.412  -1.229  0.00  0.00    -0.370 N 
ATOM     32  H   LIG    1        5.750   3.991  -1.984  0.00  0.00    +0.159 HD
ATOM     33  H   LIG    1        6.854   3.869  -0.731  0.00  0.00    +0.159 HD
ENDBRANCH  29  31
BRANCH  29  34
ATOM     34  N   LIG    1        4.002   2.721  -1.091  0.00  0.00    -0.370 N 
ATOM     35  H   LIG    1        4.208   2.079  -1.848  0.00  0.00    +0.159 HD
ATOM     36  H   LIG    1        3.286   2.303  -0.491  0.00  0.00    +0.159 HD
ENDBRANCH  29  34
ENDBRANCH  24  30
ENDBRANCH   1  27
TORSDOF 4