REMARK  Name = BDB047833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.346  -0.639  -2.498  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        0.122   0.350  -2.336  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.630  -1.473  -1.853  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -1.552  -0.840  -0.983  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -2.478  -1.638  -0.299  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -2.490  -3.025  -0.476  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -1.581  -3.622  -1.360  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -0.654  -2.850  -2.064  0.00  0.00    +0.059 A 
BRANCH   4   9
ATOM      9  N   LIG    1       -1.518   0.569  -0.870  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -2.490   1.202  -1.803  0.00  0.00    +0.120 C 
ATOM     11  C   LIG    1       -2.671   2.695  -1.456  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1       -3.267   2.912  -0.118  0.00  0.00    -0.302 NA
ATOM     13  C   LIG    1       -2.910   4.234   0.392  0.00  0.00    +0.105 C 
ATOM     14  C   LIG    1       -2.895   1.836   0.826  0.00  0.00    +0.103 C 
ATOM     15  C   LIG    1       -1.566   1.113   0.511  0.00  0.00    +0.120 C 
ENDBRANCH   4   9
BRANCH   7  16
ATOM     16  N   LIG    1       -1.603  -5.076  -1.545  0.00  0.00    +0.056 N 
ATOM     17  O   LIG    1       -0.975  -5.550  -2.502  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1       -2.263  -5.747  -0.737  0.00  0.00    -0.126 OA
ENDBRANCH   7  16
ENDBRANCH   1   3
BRANCH   1  19
ATOM     19  S   LIG    1        1.972  -0.879  -2.061  0.00  0.00    +0.079 S 
ATOM     20  O   LIG    1        2.739   0.158  -2.723  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.334  -2.262  -2.303  0.00  0.00    -0.150 OA
BRANCH  19  25
ATOM     22  C   LIG    1        2.096  -0.007   2.455  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1        2.145   1.034   1.532  0.00  0.00    +0.093 A 
ATOM     24  C   LIG    1        2.099   0.762   0.156  0.00  0.00    +0.154 A 
ATOM     25  C   LIG    1        1.986  -0.555  -0.310  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1        1.942  -1.597   0.621  0.00  0.00    +0.154 A 
ATOM     27  C   LIG    1        1.982  -1.318   1.993  0.00  0.00    +0.093 A 
BRANCH  22  29
ATOM     28  C   LIG    1        2.320   1.429   4.339  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        2.118   0.122   3.815  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
BRANCH  24  30
ATOM     30  O   LIG    1        2.024   1.827  -0.704  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1        3.274   2.517  -0.789  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
BRANCH  26  32
ATOM     32  O   LIG    1        1.726  -2.895   0.244  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1        2.898  -3.693   0.429  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 8